2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

C17H20ClN5O2 — CID 109301626

IUPAC2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN5O2/c18-13-3-1-2-4-14(13)21-17-20-6-5-15(22-17)16(24)19-7-8-23-9-11-25-12-10-23/h1-6H,7-12H2,(H,19,24)(H,20,21,22)
InChIKeyMLESCMJENBFXON-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.94
Rot. Bonds6

About 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109301626) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109301626
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN5O2/c18-13-3-1-2-4-14(13)21-17-20-6-5-15(22-17)16(24)19-7-8-23-9-11-25-12-10-23/h1-6H,7-12H2,(H,19,24)(H,20,21,22)
InChIKeyMLESCMJENBFXON-UHFFFAOYSA-N
XLogP1.94
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301487
N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
2-(3-chloro-2-methylanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325371
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
5-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185766
2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301621
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109301644
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301415
6-N-(2-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096462
2-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301579

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (CID 109301626) is 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is O=C(NCCN1CCOCC1)c1ccnc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is MLESCMJENBFXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c18-13-3-1-2-4-14(13)21-17-20-6-5-15(22-17)16(24)19-7-8-23-9-11-25-12-10-23/h1-6H,7-12H2,(H,19,24)(H,20,21,22).
What are the key properties of 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).