2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C19H26N4O3 — CID 112909948

IUPAC2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(C)nc(NC3CCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O3/c1-12-9-17(23-19(20-12)22-13-7-5-6-8-13)21-14-10-15(24-2)18(26-4)16(11-14)25-3/h9-11,13H,5-8H2,1-4H3,(H2,20,21,22,23)
InChIKeyMMXQIIUBCAZWCI-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.91
Rot. Bonds7

About 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112909948) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112909948
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(C)nc(NC3CCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O3/c1-12-9-17(23-19(20-12)22-13-7-5-6-8-13)21-14-10-15(24-2)18(26-4)16(11-14)25-3/h9-11,13H,5-8H2,1-4H3,(H2,20,21,22,23)
InChIKeyMMXQIIUBCAZWCI-UHFFFAOYSA-N
XLogP3.91
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884414
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112928352
N-[4-[[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 53048243
4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031
4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
CID 112909893
4-[[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194251
6-methyl-2-N-pentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112925562
2-N-cyclopentyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112909930
4-N-tert-butyl-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112924723
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 112909948) is 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2cc(C)nc(NC3CCCC3)n2)cc(OC)c1OC.
What is the InChIKey of 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is MMXQIIUBCAZWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-9-17(23-19(20-12)22-13-7-5-6-8-13)21-14-10-15(24-2)18(26-4)16(11-14)25-3/h9-11,13H,5-8H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 358.44 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112909948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).