6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine

C21H19N5 — CID 164556375

IUPAC6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1ncnc2ccc(-c3cncc(N)c3)cc12)c1ccccc1
InChIInChI=1S/C21H19N5/c1-14(15-5-3-2-4-6-15)26-21-19-10-16(7-8-20(19)24-13-25-21)17-9-18(22)12-23-11-17/h2-14H,22H2,1H3,(H,24,25,26)
InChIKeyWATBKQDMDMLYFF-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.45
Rot. Bonds4

About 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine

6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine (PubChem CID 164556375) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
PubChem CID164556375
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1ncnc2ccc(-c3cncc(N)c3)cc12)c1ccccc1
InChIInChI=1S/C21H19N5/c1-14(15-5-3-2-4-6-15)26-21-19-10-16(7-8-20(19)24-13-25-21)17-9-18(22)12-23-11-17/h2-14H,22H2,1H3,(H,24,25,26)
InChIKeyWATBKQDMDMLYFF-UHFFFAOYSA-N
XLogP4.45
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 164556578
methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate
CID 164556584
N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide
CID 164556450
1-[4-[4-(1-phenylethylamino)quinazolin-6-yl]phenyl]butan-2-one
CID 165054459
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
N-[2-chloro-5-[4-(1-phenylethylamino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide
CID 164809130
6-[6-chloro-5-(methylsulfanylamino)-3-pyridinyl]-N-[1-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 164556435
6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145712
6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
CID 164556546
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
3-bromo-2-N-(1-phenylethyl)pyridine-2,5-diamine
CID 79531608
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrobromide
CID 57401512

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine?
The IUPAC name of 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine (CID 164556375) is 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine is CC(Nc1ncnc2ccc(-c3cncc(N)c3)cc12)c1ccccc1.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine?
The InChIKey is WATBKQDMDMLYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-14(15-5-3-2-4-6-15)26-21-19-10-16(7-8-20(19)24-13-25-21)17-9-18(22)12-23-11-17/h2-14H,22H2,1H3,(H,24,25,26).
What are the key properties of 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine?
6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 164556375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).