2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid

C17H18N4O4 — CID 95889304

IUPAC2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCOC[C@@H]1CC(=O)O
InChIInChI=1S/C17H18N4O4/c1-11-14(9-19-16(20-11)12-3-2-4-18-8-12)17(24)21-5-6-25-10-13(21)7-15(22)23/h2-4,8-9,13H,5-7,10H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyKLHDMUIKQMROPZ-ZDUSSCGKSA-N
MW342.36 g/mol
LogP1.16
Rot. Bonds4

About 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid

2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 95889304) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
PubChem CID95889304
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCOC[C@@H]1CC(=O)O
InChIInChI=1S/C17H18N4O4/c1-11-14(9-19-16(20-11)12-3-2-4-18-8-12)17(24)21-5-6-25-10-13(21)7-15(22)23/h2-4,8-9,13H,5-7,10H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyKLHDMUIKQMROPZ-ZDUSSCGKSA-N
XLogP1.16
TPSA105.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
CID 129469711
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
(1S,5R)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 155497797
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
(1-ethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 156604128
2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
(3R,4S)-3-hydroxy-1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163306068
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469902
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 164694318
2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide
CID 95895108

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid (CID 95889304) is 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid is Cc1nc(-c2cccnc2)ncc1C(=O)N1CCOC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is KLHDMUIKQMROPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11-14(9-19-16(20-11)12-3-2-4-18-8-12)17(24)21-5-6-25-10-13(21)7-15(22)23/h2-4,8-9,13H,5-7,10H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid?
2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 342.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 95889304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).