2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

C21H23ClN4 — CID 162040458

IUPAC2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
SMILESCc1cccc(CNc2nc(N[C@H](C)C3CC3)c3ccccc3n2)c1Cl
InChIInChI=1S/C21H23ClN4/c1-13-6-5-7-16(19(13)22)12-23-21-25-18-9-4-3-8-17(18)20(26-21)24-14(2)15-10-11-15/h3-9,14-15H,10-12H2,1-2H3,(H2,23,24,25,26)/t14-/m1/s1
InChIKeyCENNHVJAAIXQSV-CQSZACIVSA-N
MW366.90 g/mol
LogP5.41
Rot. Bonds6

About 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine (PubChem CID 162040458) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
PubChem CID162040458
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
SMILESCc1cccc(CNc2nc(N[C@H](C)C3CC3)c3ccccc3n2)c1Cl
InChIInChI=1S/C21H23ClN4/c1-13-6-5-7-16(19(13)22)12-23-21-25-18-9-4-3-8-17(18)20(26-21)24-14(2)15-10-11-15/h3-9,14-15H,10-12H2,1-2H3,(H2,23,24,25,26)/t14-/m1/s1
InChIKeyCENNHVJAAIXQSV-CQSZACIVSA-N
XLogP5.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.90
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine
CID 164754230
2-N-(3-chloro-4-fluorophenyl)-4-N-(1-cyclopentylethyl)quinazoline-2,4-diamine
CID 164754266
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
8-bromo-2-N-[(3-chloro-4-fluorophenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046228
3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]butan-1-ol
CID 58966833
8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046233
4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine
CID 62141541
8-bromo-2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046229
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
8-bromo-4-N-(1-cyclopropylethyl)-2-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 135382723
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine (CID 162040458) is 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine is Cc1cccc(CNc2nc(N[C@H](C)C3CC3)c3ccccc3n2)c1Cl.
What is the InChIKey of 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
The InChIKey is CENNHVJAAIXQSV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23ClN4/c1-13-6-5-7-16(19(13)22)12-23-21-25-18-9-4-3-8-17(18)20(26-21)24-14(2)15-10-11-15/h3-9,14-15H,10-12H2,1-2H3,(H2,23,24,25,26)/t14-/m1/s1.
What are the key properties of 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine has a molecular weight of 366.90 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 162040458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).