5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine

C12H23N5 — CID 135260423

IUPAC5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCN
InChIInChI=1S/C12H23N5/c1-3-4-8-15-11-10(6-5-7-13)9(2)16-12(14)17-11/h3-8,13H2,1-2H3,(H3,14,15,16,17)
InChIKeyOBLMWECWQHGHBR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.47
Rot. Bonds7

About 5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine

5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine (PubChem CID 135260423) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine
PubChem CID135260423
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCN
InChIInChI=1S/C12H23N5/c1-3-4-8-15-11-10(6-5-7-13)9(2)16-12(14)17-11/h3-8,13H2,1-2H3,(H3,14,15,16,17)
InChIKeyOBLMWECWQHGHBR-UHFFFAOYSA-N
XLogP1.47
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.47
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-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine (CID 135260423) is 5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCCN.
What is the InChIKey of 5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is OBLMWECWQHGHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-4-8-15-11-10(6-5-7-13)9(2)16-12(14)17-11/h3-8,13H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine?
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 135260423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).