N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H19N3O — CID 59242087

IUPACN-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C16H19N3O/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h7-10H,4-6H2,1-3H3
InChIKeyGQRFTXWUCZQCHM-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.05
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 59242087) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID59242087
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C16H19N3O/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h7-10H,4-6H2,1-3H3
InChIKeyGQRFTXWUCZQCHM-UHFFFAOYSA-N
XLogP3.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Verubulin
CID 11414799
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11208709
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11738112
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
N-[7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 4905403
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233
N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 655328
2-Ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11162180
4-Quinazolinamine, 7-azido-N-(4-methoxyphenyl)-N,2-dimethyl-
CID 11186268
4-Quinazolinamine, N-[4-(difluoromethoxy)phenyl]-N,2-dimethyl-
CID 11197822

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 59242087) is N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GQRFTXWUCZQCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h7-10H,4-6H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.05, 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-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 59242087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).