4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine

C21H23FN4 — CID 161354853

IUPAC4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
SMILESCC[C@@H](Nc1nc(Nc2cc(C)cc(F)c2)nc2ccccc12)C1CC1
InChIInChI=1S/C21H23FN4/c1-3-18(14-8-9-14)24-20-17-6-4-5-7-19(17)25-21(26-20)23-16-11-13(2)10-15(22)12-16/h4-7,10-12,14,18H,3,8-9H2,1-2H3,(H2,23,24,25,26)/t18-/m1/s1
InChIKeyPMVYZCMKUVINMC-GOSISDBHSA-N
MW350.44 g/mol
LogP5.42
Rot. Bonds6

About 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine

4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine (PubChem CID 161354853) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
PubChem CID161354853
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
SMILESCC[C@@H](Nc1nc(Nc2cc(C)cc(F)c2)nc2ccccc12)C1CC1
InChIInChI=1S/C21H23FN4/c1-3-18(14-8-9-14)24-20-17-6-4-5-7-19(17)25-21(26-20)23-16-11-13(2)10-15(22)12-16/h4-7,10-12,14,18H,3,8-9H2,1-2H3,(H2,23,24,25,26)/t18-/m1/s1
InChIKeyPMVYZCMKUVINMC-GOSISDBHSA-N
XLogP5.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine
CID 142474368
4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine
CID 164754253
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
2-N-(3-chloro-4-fluorophenyl)-4-N-(1-cyclopentylethyl)quinazoline-2,4-diamine
CID 164754266
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966058
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
CID 146065336

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine (CID 161354853) is 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine is CC[C@@H](Nc1nc(Nc2cc(C)cc(F)c2)nc2ccccc12)C1CC1.
What is the InChIKey of 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is PMVYZCMKUVINMC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23FN4/c1-3-18(14-8-9-14)24-20-17-6-4-5-7-19(17)25-21(26-20)23-16-11-13(2)10-15(22)12-16/h4-7,10-12,14,18H,3,8-9H2,1-2H3,(H2,23,24,25,26)/t18-/m1/s1.
What are the key properties of 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine?
4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 350.44 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 161354853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).