5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine

C19H29N5 — CID 135260389

IUPAC5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(-c2ccccc2)c1CCCCCN
InChIInChI=1S/C19H29N5/c1-2-3-14-22-18-16(12-8-5-9-13-20)17(23-19(21)24-18)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14,20H2,1H3,(H3,21,22,23,24)
InChIKeyKRWWXNFJFYPURS-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.61
Rot. Bonds10

About 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine

5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 135260389) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine
PubChem CID135260389
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(-c2ccccc2)c1CCCCCN
InChIInChI=1S/C19H29N5/c1-2-3-14-22-18-16(12-8-5-9-13-20)17(23-19(21)24-18)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14,20H2,1H3,(H3,21,22,23,24)
InChIKeyKRWWXNFJFYPURS-UHFFFAOYSA-N
XLogP3.61
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine (CID 135260389) is 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine is CCCCNc1nc(N)nc(-c2ccccc2)c1CCCCCN.
What is the InChIKey of 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is KRWWXNFJFYPURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-2-3-14-22-18-16(12-8-5-9-13-20)17(23-19(21)24-18)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14,20H2,1H3,(H3,21,22,23,24).
What are the key properties of 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine?
5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 327.48 g/mol, XLogP of 3.61, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminopentyl)-4-N-butyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 135260389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).