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

C18H26N6 — CID 141132564

IUPAC4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CC1CCNCC1)c1cc(NCCc2ccncc2)ncn1
InChIInChI=1S/C18H26N6/c1-24(13-16-4-9-20-10-5-16)18-12-17(22-14-23-18)21-11-6-15-2-7-19-8-3-15/h2-3,7-8,12,14,16,20H,4-6,9-11,13H2,1H3,(H,21,22,23)
InChIKeyQDOSYEZSGSCAFV-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.96
Rot. Bonds7

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

4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 141132564) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID141132564
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CC1CCNCC1)c1cc(NCCc2ccncc2)ncn1
InChIInChI=1S/C18H26N6/c1-24(13-16-4-9-20-10-5-16)18-12-17(22-14-23-18)21-11-6-15-2-7-19-8-3-15/h2-3,7-8,12,14,16,20H,4-6,9-11,13H2,1H3,(H,21,22,23)
InChIKeyQDOSYEZSGSCAFV-UHFFFAOYSA-N
XLogP1.96
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 141132564) is 4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is CN(CC1CCNCC1)c1cc(NCCc2ccncc2)ncn1.
What is the InChIKey of 4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is QDOSYEZSGSCAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-24(13-16-4-9-20-10-5-16)18-12-17(22-14-23-18)21-11-6-15-2-7-19-8-3-15/h2-3,7-8,12,14,16,20H,4-6,9-11,13H2,1H3,(H,21,22,23).
What are the key properties of 4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 326.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 141132564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).