4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C19H26N4 — CID 112855887

IUPAC4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)N(Cc1ccccc1)c1cc(NC2CCCC2)ncn1
InChIInChI=1S/C19H26N4/c1-15(2)23(13-16-8-4-3-5-9-16)19-12-18(20-14-21-19)22-17-10-6-7-11-17/h3-5,8-9,12,14-15,17H,6-7,10-11,13H2,1-2H3,(H,20,21,22)
InChIKeyMYCZADMRBJTVEO-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.25
Rot. Bonds6

About 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine

4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112855887) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112855887
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)N(Cc1ccccc1)c1cc(NC2CCCC2)ncn1
InChIInChI=1S/C19H26N4/c1-15(2)23(13-16-8-4-3-5-9-16)19-12-18(20-14-21-19)22-17-10-6-7-11-17/h3-5,8-9,12,14-15,17H,6-7,10-11,13H2,1-2H3,(H,20,21,22)
InChIKeyMYCZADMRBJTVEO-UHFFFAOYSA-N
XLogP4.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112856249
4-N-benzyl-6-N-(1,1-dioxothiolan-3-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112861941
2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112910397
4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860753
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861063
1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea
CID 113044481
6-[benzyl(propan-2-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109354113
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112854699
6-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109354130
2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
CID 112884136

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112855887) is 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CC(C)N(Cc1ccccc1)c1cc(NC2CCCC2)ncn1.
What is the InChIKey of 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MYCZADMRBJTVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15(2)23(13-16-8-4-3-5-9-16)19-12-18(20-14-21-19)22-17-10-6-7-11-17/h3-5,8-9,12,14-15,17H,6-7,10-11,13H2,1-2H3,(H,20,21,22).
What are the key properties of 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 310.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112855887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).