4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine

C23H26N4O — CID 112880055

IUPAC4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(NC3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-28-20-13-11-17(12-14-20)16-24-21-15-22(25-19-9-5-6-10-19)27-23(26-21)18-7-3-2-4-8-18/h2-4,7-8,11-15,19H,5-6,9-10,16H2,1H3,(H2,24,25,26,27)
InChIKeyLRMCRARJGIBAIB-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.12
Rot. Bonds7

About 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine

4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine (PubChem CID 112880055) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
PubChem CID112880055
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(NC3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-28-20-13-11-17(12-14-20)16-24-21-15-22(25-19-9-5-6-10-19)27-23(26-21)18-7-3-2-4-8-18/h2-4,7-8,11-15,19H,5-6,9-10,16H2,1H3,(H2,24,25,26,27)
InChIKeyLRMCRARJGIBAIB-UHFFFAOYSA-N
XLogP5.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112879467
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880164
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine (CID 112880055) is 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine is COc1ccc(CNc2cc(NC3CCCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine?
The InChIKey is LRMCRARJGIBAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-28-20-13-11-17(12-14-20)16-24-21-15-22(25-19-9-5-6-10-19)27-23(26-21)18-7-3-2-4-8-18/h2-4,7-8,11-15,19H,5-6,9-10,16H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine?
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine has a molecular weight of 374.49 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).