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

C14H25N5 — CID 50963898

IUPAC2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(N(C)CCN2CCCCC2C)n1
InChIInChI=1S/C14H25N5/c1-12-6-4-5-9-19(12)11-10-18(3)14-16-8-7-13(15-2)17-14/h7-8,12H,4-6,9-11H2,1-3H3,(H,15,16,17)
InChIKeyCQZPUYVQCBICBE-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.83
Rot. Bonds5

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

2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 50963898) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID50963898
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(N(C)CCN2CCCCC2C)n1
InChIInChI=1S/C14H25N5/c1-12-6-4-5-9-19(12)11-10-18(3)14-16-8-7-13(15-2)17-14/h7-8,12H,4-6,9-11H2,1-3H3,(H,15,16,17)
InChIKeyCQZPUYVQCBICBE-UHFFFAOYSA-N
XLogP1.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine (CID 50963898) is 2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine is CNc1ccnc(N(C)CCN2CCCCC2C)n1.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is CQZPUYVQCBICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-12-6-4-5-9-19(12)11-10-18(3)14-16-8-7-13(15-2)17-14/h7-8,12H,4-6,9-11H2,1-3H3,(H,15,16,17).
What are the key properties of 2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50963898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).