4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine

C14H27N5 — CID 135271012

IUPAC4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCN(C)C
InChIInChI=1S/C14H27N5/c1-5-6-9-16-13-12(8-7-10-19(3)4)11(2)17-14(15)18-13/h5-10H2,1-4H3,(H3,15,16,17,18)
InChIKeyMUYJMSPDCDNDNQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.07
Rot. Bonds8

About 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine

4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 135271012) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
PubChem CID135271012
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCN(C)C
InChIInChI=1S/C14H27N5/c1-5-6-9-16-13-12(8-7-10-19(3)4)11(2)17-14(15)18-13/h5-10H2,1-4H3,(H3,15,16,17,18)
InChIKeyMUYJMSPDCDNDNQ-UHFFFAOYSA-N
XLogP2.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
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 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine (CID 135271012) is 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCCN(C)C.
What is the InChIKey of 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is MUYJMSPDCDNDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-6-9-16-13-12(8-7-10-19(3)4)11(2)17-14(15)18-13/h5-10H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine?
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 135271012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).