(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid

C9H10ClN3O3 — CID 175148937

IUPAC(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2cc(Cl)ncn2)CCO1
InChIInChI=1S/C9H10ClN3O3/c10-7-3-8(12-5-11-7)13-1-2-16-6(4-13)9(14)15/h3,5-6H,1-2,4H2,(H,14,15)/t6-/m1/s1
InChIKeyGZEBFUQMGHCEPI-ZCFIWIBFSA-N
MW243.65 g/mol
LogP0.42
Rot. Bonds2

About (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid

(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid (PubChem CID 175148937) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid
PubChem CID175148937
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2cc(Cl)ncn2)CCO1
InChIInChI=1S/C9H10ClN3O3/c10-7-3-8(12-5-11-7)13-1-2-16-6(4-13)9(14)15/h3,5-6H,1-2,4H2,(H,14,15)/t6-/m1/s1
InChIKeyGZEBFUQMGHCEPI-ZCFIWIBFSA-N
XLogP0.42
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
CID 97108044
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 119358036
(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 138543962
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid
CID 63617713
methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate
CID 115538521
1-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]ethanamine
CID 115315845
4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-2-carboxylic acid
CID 137015781
(3aR,6aR)-2-(6-chloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129380883
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid (CID 175148937) is (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(c2cc(Cl)ncn2)CCO1.
What is the InChIKey of (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid?
The InChIKey is GZEBFUQMGHCEPI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c10-7-3-8(12-5-11-7)13-1-2-16-6(4-13)9(14)15/h3,5-6H,1-2,4H2,(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid?
(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid has a molecular weight of 243.65 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 175148937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).