N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C18H21F2N5O2 — CID 109325294

IUPACN-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cccc2F)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H21F2N5O2/c1-12-11-15(17(26)24-16-13(19)3-2-4-14(16)20)23-18(22-12)21-5-6-25-7-9-27-10-8-25/h2-4,11H,5-10H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyXRRGMSVHJJJHCH-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.06
Rot. Bonds6

About N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109325294) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109325294
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC NameN-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cccc2F)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H21F2N5O2/c1-12-11-15(17(26)24-16-13(19)3-2-4-14(16)20)23-18(22-12)21-5-6-25-7-9-27-10-8-25/h2-4,11H,5-10H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyXRRGMSVHJJJHCH-UHFFFAOYSA-N
XLogP2.06
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325283
N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325246
6-methyl-2-(2-morpholin-4-ylethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109325286
N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325276
N-[(4-fluorophenyl)methyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325200
6-methyl-2-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319463
N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325553
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325216
2-(4-chloroanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325370
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270
2-(3-chloro-2-methylanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325371
N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109325248

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109325294) is N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2c(F)cccc2F)nc(NCCN2CCOCC2)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is XRRGMSVHJJJHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-12-11-15(17(26)24-16-13(19)3-2-4-14(16)20)23-18(22-12)21-5-6-25-7-9-27-10-8-25/h2-4,11H,5-10H2,1H3,(H,24,26)(H,21,22,23).
What are the key properties of N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109325294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).