N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine

C18H19N3 — CID 114789025

IUPACN-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
SMILESCC(C)c1ccc(CNc2ncc3ccccc3n2)cc1
InChIInChI=1S/C18H19N3/c1-13(2)15-9-7-14(8-10-15)11-19-18-20-12-16-5-3-4-6-17(16)21-18/h3-10,12-13H,11H2,1-2H3,(H,19,20,21)
InChIKeyWHMASQYIJZJYIP-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.37
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine

N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine (PubChem CID 114789025) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
PubChem CID114789025
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
SMILESCC(C)c1ccc(CNc2ncc3ccccc3n2)cc1
InChIInChI=1S/C18H19N3/c1-13(2)15-9-7-14(8-10-15)11-19-18-20-12-16-5-3-4-6-17(16)21-18/h3-10,12-13H,11H2,1-2H3,(H,19,20,21)
InChIKeyWHMASQYIJZJYIP-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204232
N-[(4-nitrophenyl)methyl]quinazolin-2-amine
CID 114788894
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
5-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 63208033
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine
CID 167884841
N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine
CID 114789197
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
N-(furan-3-ylmethyl)quinazolin-2-amine
CID 114789324
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine (CID 114789025) is N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine is CC(C)c1ccc(CNc2ncc3ccccc3n2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine?
The InChIKey is WHMASQYIJZJYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13(2)15-9-7-14(8-10-15)11-19-18-20-12-16-5-3-4-6-17(16)21-18/h3-10,12-13H,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine?
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine is sourced from PubChem (CID 114789025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).