6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine

C15H27N5 — CID 80785894

IUPAC6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCCN2CCCCC2C)nc(C)n1
InChIInChI=1S/C15H27N5/c1-12-7-4-5-9-20(12)10-6-8-17-15-11-14(16-3)18-13(2)19-15/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyHUYYQGXYHGRJRR-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.50
Rot. Bonds6

About 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine

6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine (PubChem CID 80785894) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
PubChem CID80785894
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCCN2CCCCC2C)nc(C)n1
InChIInChI=1S/C15H27N5/c1-12-7-4-5-9-20(12)10-6-8-17-15-11-14(16-3)18-13(2)19-15/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyHUYYQGXYHGRJRR-UHFFFAOYSA-N
XLogP2.50
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.50
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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Related Compounds

5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
CID 114448150
6-methoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261071
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 79718768
6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261070
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazol-2-amine
CID 62962810
2-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 81273437
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 154463494

Frequently Asked Questions

What is the IUPAC name of 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine (CID 80785894) is 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine is CNc1cc(NCCCN2CCCCC2C)nc(C)n1.
What is the InChIKey of 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine?
The InChIKey is HUYYQGXYHGRJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12-7-4-5-9-20(12)10-6-8-17-15-11-14(16-3)18-13(2)19-15/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine?
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80785894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).