2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine

C13H27N5 — CID 142460688

IUPAC2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine
SMILESCCCCNC1N=CC=C(NCCCN(C)C)N1
InChIInChI=1S/C13H27N5/c1-4-5-8-15-13-16-10-7-12(17-13)14-9-6-11-18(2)3/h7,10,13-15,17H,4-6,8-9,11H2,1-3H3
InChIKeyOHJZXCOZKGUYPL-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.72
Rot. Bonds9

About 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine

2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine (PubChem CID 142460688) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine.

Molecular Properties

Compound Name2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine
PubChem CID142460688
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine
SMILESCCCCNC1N=CC=C(NCCCN(C)C)N1
InChIInChI=1S/C13H27N5/c1-4-5-8-15-13-16-10-7-12(17-13)14-9-6-11-18(2)3/h7,10,13-15,17H,4-6,8-9,11H2,1-3H3
InChIKeyOHJZXCOZKGUYPL-UHFFFAOYSA-N
XLogP0.72
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.72
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

N,2,2-triethyl-1H-pyrimidin-6-amine
CID 67860290
N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine
CID 70354420
N-butyl-N-ethyl-1,2-dihydropyrimidin-6-amine
CID 134386213
6-N,6-N,2-trimethyl-1H-pyrimidine-2,6-diamine
CID 141886430
2-(aminomethyl)-N,N-dimethyl-1,2-dihydropyrimidin-6-amine
CID 146386443
2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 152687444
2-butyl-6-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 153898681
2-ethyl-6-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 153898684
2-(2-aminoethyl)-6-N-[3-(dimethylamino)propyl]-6-N-methyl-1H-pyrimidine-2,6-diamine
CID 153906977
2-(2-aminoethyl)-6-N-[2-(dimethylamino)ethyl]-6-N-methyl-1H-pyrimidine-2,6-diamine
CID 153906978
2-butyl-6-N-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,6-diamine
CID 153907007
2-(2-aminoethyl)-6-N,6-N-bis[3-(dimethylamino)propyl]-1H-pyrimidine-2,6-diamine
CID 157546298

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine?
The IUPAC name of 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine (CID 142460688) is 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine.
What is the SMILES notation for 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine?
The canonical SMILES for 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine is CCCCNC1N=CC=C(NCCCN(C)C)N1.
What is the InChIKey of 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine?
The InChIKey is OHJZXCOZKGUYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-4-5-8-15-13-16-10-7-12(17-13)14-9-6-11-18(2)3/h7,10,13-15,17H,4-6,8-9,11H2,1-3H3.
What are the key properties of 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine?
2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine has a molecular weight of 253.39 g/mol, XLogP of 0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine is sourced from PubChem (CID 142460688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).