2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

C21H29N5O2 — CID 109301621

IUPAC2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1nccc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C21H29N5O2/c1-15(2)17-6-4-5-16(3)19(17)25-21-23-8-7-18(24-21)20(27)22-9-10-26-11-13-28-14-12-26/h4-8,15H,9-14H2,1-3H3,(H,22,27)(H,23,24,25)
InChIKeyDZECVJZOSGXIIG-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.71
Rot. Bonds7

About 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109301621) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109301621
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1nccc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C21H29N5O2/c1-15(2)17-6-4-5-16(3)19(17)25-21-23-8-7-18(24-21)20(27)22-9-10-26-11-13-28-14-12-26/h4-8,15H,9-14H2,1-3H3,(H,22,27)(H,23,24,25)
InChIKeyDZECVJZOSGXIIG-UHFFFAOYSA-N
XLogP2.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207509
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109301644
2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301626
2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296984
2-N-(2-morpholin-4-ylethyl)-6-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109096478
6-N-(2-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096462
2-[2,6-di(propan-2-yl)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301022
2,3-dihydroindol-1-yl-[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109314473
2-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (CID 109301621) is 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is Cc1cccc(C(C)C)c1Nc1nccc(C(=O)NCCN2CCOCC2)n1.
What is the InChIKey of 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is DZECVJZOSGXIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)17-6-4-5-16(3)19(17)25-21-23-8-7-18(24-21)20(27)22-9-10-26-11-13-28-14-12-26/h4-8,15H,9-14H2,1-3H3,(H,22,27)(H,23,24,25).
What are the key properties of 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).