5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

C20H34N6O2 — CID 117087353

IUPAC5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cnc(N2CCC(N3CCOCC3)CC2)nc1NCCN1CCOCC1
InChIInChI=1S/C20H34N6O2/c1-17-16-22-20(23-19(17)21-4-7-24-8-12-27-13-9-24)26-5-2-18(3-6-26)25-10-14-28-15-11-25/h16,18H,2-15H2,1H3,(H,21,22,23)
InChIKeyJVMAGOVZBRBSSG-UHFFFAOYSA-N
MW390.53 g/mol
LogP0.83
Rot. Bonds6

About 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 117087353) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID117087353
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC Name5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cnc(N2CCC(N3CCOCC3)CC2)nc1NCCN1CCOCC1
InChIInChI=1S/C20H34N6O2/c1-17-16-22-20(23-19(17)21-4-7-24-8-12-27-13-9-24)26-5-2-18(3-6-26)25-10-14-28-15-11-25/h16,18H,2-15H2,1H3,(H,21,22,23)
InChIKeyJVMAGOVZBRBSSG-UHFFFAOYSA-N
XLogP0.83
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (CID 117087353) is 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is Cc1cnc(N2CCC(N3CCOCC3)CC2)nc1NCCN1CCOCC1.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is JVMAGOVZBRBSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-17-16-22-20(23-19(17)21-4-7-24-8-12-27-13-9-24)26-5-2-18(3-6-26)25-10-14-28-15-11-25/h16,18H,2-15H2,1H3,(H,21,22,23).
What are the key properties of 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 390.53 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 117087353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).