4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide

C15H17N5O2 — CID 53143922

IUPAC4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
SMILESNc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17N5O2/c16-13-12(14(21)18-11-4-2-1-3-5-11)10-17-15(19-13)20-6-8-22-9-7-20/h1-5,10H,6-9H2,(H,18,21)(H2,16,17,19)
InChIKeyZTGPPGYAISQMNY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.15
Rot. Bonds3

About 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide

4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide (PubChem CID 53143922) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
PubChem CID53143922
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
SMILESNc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17N5O2/c16-13-12(14(21)18-11-4-2-1-3-5-11)10-17-15(19-13)20-6-8-22-9-7-20/h1-5,10H,6-9H2,(H,18,21)(H2,16,17,19)
InChIKeyZTGPPGYAISQMNY-UHFFFAOYSA-N
XLogP1.15
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
Prostaglandin D synthase (hematopoietic-type) inhibitor F092
CID 134812607
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide (CID 53143922) is 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide is Nc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is ZTGPPGYAISQMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c16-13-12(14(21)18-11-4-2-1-3-5-11)10-17-15(19-13)20-6-8-22-9-7-20/h1-5,10H,6-9H2,(H,18,21)(H2,16,17,19).
What are the key properties of 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).