4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80839751

IUPAC4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CCC(C)C)C2CCCC2)ncn1
InChIInChI=1S/C17H30N4/c1-4-10-18-16-12-17(20-13-19-16)21(11-9-14(2)3)15-7-5-6-8-15/h12-15H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyKZAHOQVUYWAXRM-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.09
Rot. Bonds8

About 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine

4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80839751) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80839751
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CCC(C)C)C2CCCC2)ncn1
InChIInChI=1S/C17H30N4/c1-4-10-18-16-12-17(20-13-19-16)21(11-9-14(2)3)15-7-5-6-8-15/h12-15H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyKZAHOQVUYWAXRM-UHFFFAOYSA-N
XLogP4.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805676
4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80940294
4-N-cyclopentyl-6-N-ethyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80839121
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80787176
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80850356
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine (CID 80839751) is 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CCC(C)C)C2CCCC2)ncn1.
What is the InChIKey of 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is KZAHOQVUYWAXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-10-18-16-12-17(20-13-19-16)21(11-9-14(2)3)15-7-5-6-8-15/h12-15H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80839751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).