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

C15H22N6O — CID 31074760

IUPACN-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESCN(CCN1CCOCC1)c1nccc(-c2cnn(C)c2)n1
InChIInChI=1S/C15H22N6O/c1-19(5-6-21-7-9-22-10-8-21)15-16-4-3-14(18-15)13-11-17-20(2)12-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyHAQVAGKVBJVEJA-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.65
Rot. Bonds5

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

N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 31074760) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
PubChem CID31074760
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESCN(CCN1CCOCC1)c1nccc(-c2cnn(C)c2)n1
InChIInChI=1S/C15H22N6O/c1-19(5-6-21-7-9-22-10-8-21)15-16-4-3-14(18-15)13-11-17-20(2)12-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyHAQVAGKVBJVEJA-UHFFFAOYSA-N
XLogP0.65
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-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 N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (CID 31074760) is N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is CN(CCN1CCOCC1)c1nccc(-c2cnn(C)c2)n1.
What is the InChIKey of N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is HAQVAGKVBJVEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-19(5-6-21-7-9-22-10-8-21)15-16-4-3-14(18-15)13-11-17-20(2)12-13/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 31074760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).