2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

C25H26FN5O4 — CID 135430782

IUPAC2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(C(=O)NCCN4CCOCC4)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C25H26FN5O4/c1-15-2-4-17(19(26)12-15)23(33)16-3-5-22(32)18(13-16)20-14-21(30-25(27)29-20)24(34)28-6-7-31-8-10-35-11-9-31/h2-5,12-14,32H,6-11H2,1H3,(H,28,34)(H2,27,29,30)
InChIKeyWQPMSMNNJKJJQT-UHFFFAOYSA-N
MW479.51 g/mol
LogP2.17
Rot. Bonds7

About 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 135430782) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID135430782
Molecular FormulaC25H26FN5O4
Molecular Weight479.51 g/mol
Exact Mass479.20
IUPAC Name2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(C(=O)NCCN4CCOCC4)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C25H26FN5O4/c1-15-2-4-17(19(26)12-15)23(33)16-3-5-22(32)18(13-16)20-14-21(30-25(27)29-20)24(34)28-6-7-31-8-10-35-11-9-31/h2-5,12-14,32H,6-11H2,1H3,(H,28,34)(H2,27,29,30)
InChIKeyWQPMSMNNJKJJQT-UHFFFAOYSA-N
XLogP2.17
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-Fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 135934958
4-(5-Fluoro-2-hydroxyphenyl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 135934959
4-(3-Fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 135934966
4-(3-Fluoro-2-hydroxyphenyl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 135934967
4-(4-Fluoro-2-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 135934980
4-(4-Fluoro-2-hydroxyphenyl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 135934981
US20240216357, Example 236
CID 171743588
[3-[2-Amino-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]-4-phenylmethoxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 69908202
[3-(2-Amino-6-morpholin-4-ylpyrimidin-4-yl)-4-phenylmethoxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 69976923
N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxy-3-methylbenzoyl)benzoyl]amino]azepan-3-yl]pyrimidine-4-carboxamide
CID 90994535
N-[(3R,4R)-4-[[4-[3-(3,3-dimethylpiperidin-2-yl)-2-fluoro-6-hydroxybenzoyl]benzoyl]amino]azepan-3-yl]pyrimidine-4-carboxamide
CID 91565602
[3-[2-Amino-6-(aziridin-1-yl)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135401115

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (CID 135430782) is 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is Cc1ccc(C(=O)c2ccc(O)c(-c3cc(C(=O)NCCN4CCOCC4)nc(N)n3)c2)c(F)c1.
What is the InChIKey of 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is WQPMSMNNJKJJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4/c1-15-2-4-17(19(26)12-15)23(33)16-3-5-22(32)18(13-16)20-14-21(30-25(27)29-20)24(34)28-6-7-31-8-10-35-11-9-31/h2-5,12-14,32H,6-11H2,1H3,(H,28,34)(H2,27,29,30).
What are the key properties of 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 135430782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).