6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

C12H21N5 — CID 80805097

IUPAC6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCN2CCCCC2)ncn1
InChIInChI=1S/C12H21N5/c1-13-11-9-12(16-10-15-11)14-5-8-17-6-3-2-4-7-17/h9-10H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyKLLMWKVEPNMTEO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds5

About 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80805097) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID80805097
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCN2CCCCC2)ncn1
InChIInChI=1S/C12H21N5/c1-13-11-9-12(16-10-15-11)14-5-8-17-6-3-2-4-7-17/h9-10H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyKLLMWKVEPNMTEO-UHFFFAOYSA-N
XLogP1.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine (CID 80805097) is 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine is CNc1cc(NCCN2CCCCC2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is KLLMWKVEPNMTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-13-11-9-12(16-10-15-11)14-5-8-17-6-3-2-4-7-17/h9-10H,2-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80805097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).