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

C13H23N5 — CID 80812413

IUPAC2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCC2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-10-8-12(17-13(14-2)16-10)15-9-11-4-6-18(3)7-5-11/h8,11H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyQNQYXVMZBDPSMA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.58
Rot. Bonds4

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

2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80812413) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80812413
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCC2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-10-8-12(17-13(14-2)16-10)15-9-11-4-6-18(3)7-5-11/h8,11H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyQNQYXVMZBDPSMA-UHFFFAOYSA-N
XLogP1.58
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine (CID 80812413) is 2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine is CNc1nc(C)cc(NCC2CCN(C)CC2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QNQYXVMZBDPSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-8-12(17-13(14-2)16-10)15-9-11-4-6-18(3)7-5-11/h8,11H,4-7,9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80812413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).