4-cyclopentylsulfanyl-N-methylquinazolin-2-amine

C14H17N3S — CID 80889929

IUPAC4-cyclopentylsulfanyl-N-methylquinazolin-2-amine
SMILESCNc1nc(SC2CCCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3S/c1-15-14-16-12-9-5-4-8-11(12)13(17-14)18-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,15,16,17)
InChIKeyNNDPASKOEBKORH-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.71
Rot. Bonds3

About 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine

4-cyclopentylsulfanyl-N-methylquinazolin-2-amine (PubChem CID 80889929) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-methylquinazolin-2-amine
PubChem CID80889929
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-cyclopentylsulfanyl-N-methylquinazolin-2-amine
SMILESCNc1nc(SC2CCCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3S/c1-15-14-16-12-9-5-4-8-11(12)13(17-14)18-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,15,16,17)
InChIKeyNNDPASKOEBKORH-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexylsulfanylquinazolin-2-amine
CID 80886122
4-cyclopentylsulfanylquinazoline
CID 7160394
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 102640101
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine
CID 106928504
N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine
CID 80886234
2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80791505
N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
CID 80767148
2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine
CID 80827050
N-methyl-4-(3-methylpiperidin-1-yl)quinazolin-2-amine
CID 80764711
2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one
CID 10086293

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine?
The IUPAC name of 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine (CID 80889929) is 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine?
The canonical SMILES for 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine is CNc1nc(SC2CCCC2)c2ccccc2n1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine?
The InChIKey is NNDPASKOEBKORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-15-14-16-12-9-5-4-8-11(12)13(17-14)18-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,15,16,17).
What are the key properties of 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine?
4-cyclopentylsulfanyl-N-methylquinazolin-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-methylquinazolin-2-amine is sourced from PubChem (CID 80889929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).