2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide

C10H13ClN4O2 — CID 166756249

IUPAC2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
SMILESC[C@@H]1COCCN1c1cc(C(N)=O)nc(Cl)n1
InChIInChI=1S/C10H13ClN4O2/c1-6-5-17-3-2-15(6)8-4-7(9(12)16)13-10(11)14-8/h4,6H,2-3,5H2,1H3,(H2,12,16)/t6-/m1/s1
InChIKeyVQHUVXKEKZLXRN-ZCFIWIBFSA-N
MW256.69 g/mol
LogP0.45
Rot. Bonds2

About 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide

2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide (PubChem CID 166756249) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
PubChem CID166756249
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
SMILESC[C@@H]1COCCN1c1cc(C(N)=O)nc(Cl)n1
InChIInChI=1S/C10H13ClN4O2/c1-6-5-17-3-2-15(6)8-4-7(9(12)16)13-10(11)14-8/h4,6H,2-3,5H2,1H3,(H2,12,16)/t6-/m1/s1
InChIKeyVQHUVXKEKZLXRN-ZCFIWIBFSA-N
XLogP0.45
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
CID 88545272
(3S)-4-[6-(tert-butylsulfinylmethyl)-2-chloropyrimidin-4-yl]-3-methylmorpholine
CID 88855465
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine
CID 139406092
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
(3R)-4-[2-chloro-6-(isocyanomethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 169304968
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
CID 86691143
CID 167996467
CID 167996467
(3S)-4-[2-chloro-6-(prop-1-en-2-ylsulfonylmethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 89053604
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide (CID 166756249) is 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide is C[C@@H]1COCCN1c1cc(C(N)=O)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is VQHUVXKEKZLXRN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-6-5-17-3-2-15(6)8-4-7(9(12)16)13-10(11)14-8/h4,6H,2-3,5H2,1H3,(H2,12,16)/t6-/m1/s1.
What are the key properties of 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide?
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 166756249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).