2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine

C19H23N7 — CID 136531944

IUPAC2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
SMILESCC(C)c1ccnc(N2CCN(c3nc(N)c4ccccc4n3)CC2)n1
InChIInChI=1S/C19H23N7/c1-13(2)15-7-8-21-18(22-15)25-9-11-26(12-10-25)19-23-16-6-4-3-5-14(16)17(20)24-19/h3-8,13H,9-12H2,1-2H3,(H2,20,23,24)
InChIKeyHTKSVXXLJUSNMZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.45
Rot. Bonds3

About 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine

2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine (PubChem CID 136531944) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
PubChem CID136531944
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
SMILESCC(C)c1ccnc(N2CCN(c3nc(N)c4ccccc4n3)CC2)n1
InChIInChI=1S/C19H23N7/c1-13(2)15-7-8-21-18(22-15)25-9-11-26(12-10-25)19-23-16-6-4-3-5-14(16)17(20)24-19/h3-8,13H,9-12H2,1-2H3,(H2,20,23,24)
InChIKeyHTKSVXXLJUSNMZ-UHFFFAOYSA-N
XLogP2.45
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991
2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995741
2-thiomorpholin-4-ylquinazolin-4-amine
CID 123991658
2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 52995833
2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 170175295
ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
CID 170581392
(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
(1S,4R)-4-[4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclobut-2-ene-1-carboxylic acid
CID 167786580
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
(4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 126767111
4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
CID 14614944

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine?
The IUPAC name of 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine (CID 136531944) is 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine?
The canonical SMILES for 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine is CC(C)c1ccnc(N2CCN(c3nc(N)c4ccccc4n3)CC2)n1.
What is the InChIKey of 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine?
The InChIKey is HTKSVXXLJUSNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-13(2)15-7-8-21-18(22-15)25-9-11-26(12-10-25)19-23-16-6-4-3-5-14(16)17(20)24-19/h3-8,13H,9-12H2,1-2H3,(H2,20,23,24).
What are the key properties of 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine?
2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 136531944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).