(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide

C13H20N4O4 — CID 164641932

IUPAC(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide
SMILESCOc1cc(OC)nc(N2CCO[C@H](C(=O)N(C)C)C2)n1
InChIInChI=1S/C13H20N4O4/c1-16(2)12(18)9-8-17(5-6-21-9)13-14-10(19-3)7-11(15-13)20-4/h7,9H,5-6,8H2,1-4H3/t9-/m0/s1
InChIKeyQRVPDJDSHGKMOU-VIFPVBQESA-N
MW296.33 g/mol
LogP-0.21
Rot. Bonds4

About (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide

(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide (PubChem CID 164641932) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide
PubChem CID164641932
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide
SMILESCOc1cc(OC)nc(N2CCO[C@H](C(=O)N(C)C)C2)n1
InChIInChI=1S/C13H20N4O4/c1-16(2)12(18)9-8-17(5-6-21-9)13-14-10(19-3)7-11(15-13)20-4/h7,9H,5-6,8H2,1-4H3/t9-/m0/s1
InChIKeyQRVPDJDSHGKMOU-VIFPVBQESA-N
XLogP-0.21
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 44577414
4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124575984
(2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide
CID 164631258
4-(4,6-Dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine
CID 56868684
(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine
CID 95548955
(2R)-4-(4,6-dimethoxypyrimidin-2-yl)-2-(trifluoromethyl)morpholine
CID 95548956
(4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
CID 138017658
2-(4,4-Difluoropiperidine-1-carbonyl)-4-(4,6-dimethoxypyrimidin-2-yl)morpholine
CID 163346102
2-(4,4-Difluoropiperidine-1-carbonyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 163349262
3-(4,6-Dimethoxypyrimidin-2-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one
CID 4085180
4-(4,6-Dimethoxypyrimidin-2-yl)piperazine-1-carbaldehyde
CID 4098512
2-[(4,6-Dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 4171106

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide (CID 164641932) is (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide is COc1cc(OC)nc(N2CCO[C@H](C(=O)N(C)C)C2)n1.
What is the InChIKey of (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide?
The InChIKey is QRVPDJDSHGKMOU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N4O4/c1-16(2)12(18)9-8-17(5-6-21-9)13-14-10(19-3)7-11(15-13)20-4/h7,9H,5-6,8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide?
(2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 164641932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).