4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine

C15H26N4 — CID 106014980

IUPAC4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCCC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-2-10-17-15-18-12-9-14(19-15)16-11-5-8-13-6-3-4-7-13/h9,12-13H,2-8,10-11H2,1H3,(H2,16,17,18,19)
InChIKeyPAGXSZKUPIXSGD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.68
Rot. Bonds8

About 4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 106014980) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID106014980
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCCC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-2-10-17-15-18-12-9-14(19-15)16-11-5-8-13-6-3-4-7-13/h9,12-13H,2-8,10-11H2,1H3,(H2,16,17,18,19)
InChIKeyPAGXSZKUPIXSGD-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)-4-propoxypyrimidin-2-amine
CID 106012839
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 114516944
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide
CID 106010222
N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332352
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine (CID 106014980) is 4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCCCC2CCCC2)n1.
What is the InChIKey of 4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PAGXSZKUPIXSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-10-17-15-18-12-9-14(19-15)16-11-5-8-13-6-3-4-7-13/h9,12-13H,2-8,10-11H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-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)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 106014980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).