4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine

C12H23N5 — CID 175183922

IUPAC4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCCCCN)n1
InChIInChI=1S/C12H23N5/c1-2-8-15-12-16-10-6-11(17-12)14-9-5-3-4-7-13/h6,10H,2-5,7-9,13H2,1H3,(H2,14,15,16,17)
InChIKeyRXTVJYIADVHOBY-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.84
Rot. Bonds9

About 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 175183922) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID175183922
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCCCCN)n1
InChIInChI=1S/C12H23N5/c1-2-8-15-12-16-10-6-11(17-12)14-9-5-3-4-7-13/h6,10H,2-5,7-9,13H2,1H3,(H2,14,15,16,17)
InChIKeyRXTVJYIADVHOBY-UHFFFAOYSA-N
XLogP1.84
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332352
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112882829
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
4-N-[(4-chlorophenyl)methyl]-2-N-pentylpyrimidine-2,4-diamine
CID 112891913
4-N-octylpyrimidine-2,4-diamine
CID 18766008
4-N-decylpyrimidine-2,4-diamine
CID 56985914

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine (CID 175183922) is 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCCCCCN)n1.
What is the InChIKey of 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is RXTVJYIADVHOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-2-8-15-12-16-10-6-11(17-12)14-9-5-3-4-7-13/h6,10H,2-5,7-9,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 175183922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).