N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine

C16H17N3O — CID 147659209

IUPACN-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3c2CC=C3)cc1
InChIInChI=1S/C16H17N3O/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h4,6-10H,5H2,1-3H3
InChIKeyGLAAHIICCLKHIX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.13
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine

N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 147659209) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID147659209
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3c2CC=C3)cc1
InChIInChI=1S/C16H17N3O/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h4,6-10H,5H2,1-3H3
InChIKeyGLAAHIICCLKHIX-UHFFFAOYSA-N
XLogP3.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
CID 169425423
N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 44612041
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73293920
N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine
CID 126620624
4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine
CID 46883986
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 15519665
N,2-dimethyl-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145265
N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 110455016
6-methoxy-2-N-(4-methoxyphenyl)-2-N-methylpyridine-2,3-diamine
CID 115320673
methyl N-[4-(4-methoxy-N-methylanilino)-2-methylquinazolin-6-yl]carbamate
CID 11508604
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine (CID 147659209) is N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(C)nc3c2CC=C3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GLAAHIICCLKHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h4,6-10H,5H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 147659209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).