N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C18H22ClN5O2 — CID 109344495

IUPACN-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C18H22ClN5O2/c1-13-2-3-14(19)10-15(13)23-18(25)16-11-17(22-12-21-16)20-4-5-24-6-8-26-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,23,25)(H,20,21,22)
InChIKeySEODFGDBQVJZNU-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.43
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109344495) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109344495
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC NameN-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C18H22ClN5O2/c1-13-2-3-14(19)10-15(13)23-18(25)16-11-17(22-12-21-16)20-4-5-24-6-8-26-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,23,25)(H,20,21,22)
InChIKeySEODFGDBQVJZNU-UHFFFAOYSA-N
XLogP2.43
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344446
N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344509
N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354221
N-(5-chloro-2-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354447
methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109344521
N-(3,4-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344511
N-(5-chloro-2-methylphenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344781
6-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109344421
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109344513
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344547

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109344495) is N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is SEODFGDBQVJZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-13-2-3-14(19)10-15(13)23-18(25)16-11-17(22-12-21-16)20-4-5-24-6-8-26-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).