N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine

C18H20N4 — CID 9111435

IUPACN-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(C)[C@H](C)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C18H20N4/c1-12(2)13(3)20-18-15-8-4-5-9-16(15)21-17(22-18)14-7-6-10-19-11-14/h4-13H,1-3H3,(H,20,21,22)/t13-/m0/s1
InChIKeyLUBVIICFZZSKNL-ZDUSSCGKSA-N
MW292.39 g/mol
LogP4.15
Rot. Bonds4

About N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine

N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 9111435) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID9111435
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(C)[C@H](C)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C18H20N4/c1-12(2)13(3)20-18-15-8-4-5-9-16(15)21-17(22-18)14-7-6-10-19-11-14/h4-13H,1-3H3,(H,20,21,22)/t13-/m0/s1
InChIKeyLUBVIICFZZSKNL-ZDUSSCGKSA-N
XLogP4.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 133293050
2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508299
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133365280
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133295619
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
3-(2-bromophenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propan-1-ol
CID 75452705

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine (CID 9111435) is N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine is CC(C)[C@H](C)Nc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is LUBVIICFZZSKNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4/c1-12(2)13(3)20-18-15-8-4-5-9-16(15)21-17(22-18)14-7-6-10-19-11-14/h4-13H,1-3H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine?
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 9111435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).