6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

C13H25N5 — CID 112855266

IUPAC6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(NCCCN(C)C)ncn1
InChIInChI=1S/C13H25N5/c1-11(2)9-15-13-8-12(16-10-17-13)14-6-5-7-18(3)4/h8,10-11H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyITETXFPHFGWNSM-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.91
Rot. Bonds8

About 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 112855266) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID112855266
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(NCCCN(C)C)ncn1
InChIInChI=1S/C13H25N5/c1-11(2)9-15-13-8-12(16-10-17-13)14-6-5-7-18(3)4/h8,10-11H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyITETXFPHFGWNSM-UHFFFAOYSA-N
XLogP1.91
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.91
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 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 112855266) is 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is CC(C)CNc1cc(NCCCN(C)C)ncn1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is ITETXFPHFGWNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)9-15-13-8-12(16-10-17-13)14-6-5-7-18(3)4/h8,10-11H,5-7,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).