2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine

C17H18N4 — CID 91966042

IUPAC2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-12(2)18-16-14-10-6-7-11-15(14)20-17(21-16)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,18,19,20,21)
InChIKeyJCIPJNAHHAJCQO-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.19
Rot. Bonds4

About 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine

2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine (PubChem CID 91966042) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
PubChem CID91966042
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-12(2)18-16-14-10-6-7-11-15(14)20-17(21-16)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,18,19,20,21)
InChIKeyJCIPJNAHHAJCQO-UHFFFAOYSA-N
XLogP4.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966058
3-[[4-(propan-2-ylamino)quinazolin-2-yl]amino]benzoic acid
CID 91966067
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
CID 90676298
2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid
CID 91964013
2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966057
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
2-[[2-(3-chloroanilino)quinazolin-4-yl]amino]propanoic acid
CID 91963906
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine (CID 91966042) is 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine is CC(C)Nc1nc(Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine?
The InChIKey is JCIPJNAHHAJCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12(2)18-16-14-10-6-7-11-15(14)20-17(21-16)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine?
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 91966042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).