2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one

C20H19ClN8O3 — CID 175391591

IUPAC2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one
SMILESCc1nnc(-c2c(N)ncnc2NC(C)c2nc3cccc(Cl)c3c(=O)n2C2CC2O)o1
InChIInChI=1S/C20H19ClN8O3/c1-8(25-17-15(16(22)23-7-24-17)19-28-27-9(2)32-19)18-26-11-5-3-4-10(21)14(11)20(31)29(18)12-6-13(12)30/h3-5,7-8,12-13,30H,6H2,1-2H3,(H3,22,23,24,25)
InChIKeyLHGSISJWZUMWNA-UHFFFAOYSA-N
MW454.88 g/mol
LogP2.26
Rot. Bonds5

About 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one

2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one (PubChem CID 175391591) has the molecular formula C20H19ClN8O3 and a molecular weight of 454.88 g/mol. Its IUPAC name is 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one
PubChem CID175391591
Molecular FormulaC20H19ClN8O3
Molecular Weight454.88 g/mol
Exact Mass454.13
IUPAC Name2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one
SMILESCc1nnc(-c2c(N)ncnc2NC(C)c2nc3cccc(Cl)c3c(=O)n2C2CC2O)o1
InChIInChI=1S/C20H19ClN8O3/c1-8(25-17-15(16(22)23-7-24-17)19-28-27-9(2)32-19)18-26-11-5-3-4-10(21)14(11)20(31)29(18)12-6-13(12)30/h3-5,7-8,12-13,30H,6H2,1-2H3,(H3,22,23,24,25)
InChIKeyLHGSISJWZUMWNA-UHFFFAOYSA-N
XLogP2.26
TPSA157.87 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.88
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one with MolForge

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Related Compounds

2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(3-hydroxycyclobutyl)quinazolin-4-one
CID 175391533
2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one
CID 175527759
2-[(1S)-1-[(6-amino-5-ethynylpyrimidin-4-yl)amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one
CID 118522306
2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-phenylquinazolin-4-one
CID 139327870
4-amino-6-[[(1S)-1-(5-chloro-4-oxo-3-piperidin-4-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118572597
4-amino-6-[1-[5-chloro-3-(1-methylpiperidin-4-yl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118572588
3-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-8-chloro-2-(5-cyclopropyl-1H-pyrazol-3-yl)isoquinolin-1-one
CID 175527693
2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one
CID 162158512
2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-3-cyclopropylquinazolin-4-one
CID 122550111
2-[1-[(6-amino-5-chloropyrimidin-4-yl)amino]ethyl]-3-(5-aminopyrazin-2-yl)-5-chloroquinazolin-4-one
CID 118574347
3-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one
CID 122550104
2-[1-[(6-amino-5-chloropyrimidin-4-yl)amino]ethyl]-3-(3-aminopropyl)-5-chloroquinazolin-4-one
CID 118573832

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one?
The IUPAC name of 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one (CID 175391591) is 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one?
The canonical SMILES for 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one is Cc1nnc(-c2c(N)ncnc2NC(C)c2nc3cccc(Cl)c3c(=O)n2C2CC2O)o1.
What is the InChIKey of 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one?
The InChIKey is LHGSISJWZUMWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8O3/c1-8(25-17-15(16(22)23-7-24-17)19-28-27-9(2)32-19)18-26-11-5-3-4-10(21)14(11)20(31)29(18)12-6-13(12)30/h3-5,7-8,12-13,30H,6H2,1-2H3,(H3,22,23,24,25).
What are the key properties of 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one?
2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one has a molecular weight of 454.88 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one is sourced from PubChem (CID 175391591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).