2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C21H29N5O3 — CID 109366422

IUPAC2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN2CCOCC2)cc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H29N5O3/c1-15(2)29-18-6-4-17(5-7-18)25-21(27)19-14-20(24-16(3)23-19)22-8-9-26-10-12-28-13-11-26/h4-7,14-15H,8-13H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyCNZJZVVEVAAYPY-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.57
Rot. Bonds8

About 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109366422) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109366422
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN2CCOCC2)cc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H29N5O3/c1-15(2)29-18-6-4-17(5-7-18)25-21(27)19-14-20(24-16(3)23-19)22-8-9-26-10-12-28-13-11-26/h4-7,14-15H,8-13H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyCNZJZVVEVAAYPY-UHFFFAOYSA-N
XLogP2.57
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
N-(3-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366425
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366104
2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112846753
2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109362132
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366400
5-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229683
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109363938
6-methyl-2-morpholin-4-yl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109324299
N-(4-methoxyphenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207674
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
N-(4-ethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109366422) is 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is Cc1nc(NCCN2CCOCC2)cc(C(=O)Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is CNZJZVVEVAAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-15(2)29-18-6-4-17(5-7-18)25-21(27)19-14-20(24-16(3)23-19)22-8-9-26-10-12-28-13-11-26/h4-7,14-15H,8-13H2,1-3H3,(H,25,27)(H,22,23,24).
What are the key properties of 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).