2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide

C18H23N5O2 — CID 109295475

IUPAC2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C18H23N5O2/c1-13(2)20-17(24)15-7-8-19-18(22-15)21-14-5-3-4-6-16(14)23-9-11-25-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyNLEYCKFLXIKQEO-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.19
Rot. Bonds5

About 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide

2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109295475) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109295475
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C18H23N5O2/c1-13(2)20-17(24)15-7-8-19-18(22-15)21-14-5-3-4-6-16(14)23-9-11-25-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyNLEYCKFLXIKQEO-UHFFFAOYSA-N
XLogP2.19
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109313668
2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109316472
4-N-(2-morpholin-4-ylphenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882201
2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788
4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid
CID 118899143
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112886134
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
1-[3-[[4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905634
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564
2-N-tert-butyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112899832
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112906210

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide (CID 109295475) is 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1ccnc(Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is NLEYCKFLXIKQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(2)20-17(24)15-7-8-19-18(22-15)21-14-5-3-4-6-16(14)23-9-11-25-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).