4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine

C15H26N4 — CID 106014887

IUPAC4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCC2CCCC2)ncn1
InChIInChI=1S/C15H26N4/c1-2-9-16-14-11-15(19-12-18-14)17-10-5-8-13-6-3-4-7-13/h11-13H,2-10H2,1H3,(H2,16,17,18,19)
InChIKeyKYPCKKZGGNCPQD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.68
Rot. Bonds8

About 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 106014887) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID106014887
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCC2CCCC2)ncn1
InChIInChI=1S/C15H26N4/c1-2-9-16-14-11-15(19-12-18-14)17-10-5-8-13-6-3-4-7-13/h11-13H,2-10H2,1H3,(H2,16,17,18,19)
InChIKeyKYPCKKZGGNCPQD-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
CID 106012599
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
CID 115263965
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917
4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80827059
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine (CID 106014887) is 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCCC2CCCC2)ncn1.
What is the InChIKey of 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is KYPCKKZGGNCPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-9-16-14-11-15(19-12-18-14)17-10-5-8-13-6-3-4-7-13/h11-13H,2-10H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106014887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).