2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

C18H24N4O — CID 112884339

IUPAC2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CCNc1ccnc(NC2CCCC2)n1
InChIInChI=1S/C18H24N4O/c1-23-16-9-5-2-6-14(16)10-12-19-17-11-13-20-18(22-17)21-15-7-3-4-8-15/h2,5-6,9,11,13,15H,3-4,7-8,10,12H2,1H3,(H2,19,20,21,22)
InChIKeyVREGCCIGSSZSDO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.49
Rot. Bonds7

About 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112884339) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112884339
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CCNc1ccnc(NC2CCCC2)n1
InChIInChI=1S/C18H24N4O/c1-23-16-9-5-2-6-14(16)10-12-19-17-11-13-20-18(22-17)21-15-7-3-4-8-15/h2,5-6,9,11,13,15H,3-4,7-8,10,12H2,1H3,(H2,19,20,21,22)
InChIKeyVREGCCIGSSZSDO-UHFFFAOYSA-N
XLogP3.49
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882695
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560
2-N-(4-bromophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894961
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894903
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895017
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
2-N-(4-ethoxyphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894966
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890143
2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894993

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 112884339) is 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is COc1ccccc1CCNc1ccnc(NC2CCCC2)n1.
What is the InChIKey of 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is VREGCCIGSSZSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-16-9-5-2-6-14(16)10-12-19-17-11-13-20-18(22-17)21-15-7-3-4-8-15/h2,5-6,9,11,13,15H,3-4,7-8,10,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112884339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).