2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide

C14H22N4O4 — CID 95229551

IUPAC2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCC[C@H]2CN(C)CCO2)nc(OC)n1
InChIInChI=1S/C14H22N4O4/c1-18-6-7-22-10(9-18)4-5-15-13(19)11-8-12(20-2)17-14(16-11)21-3/h8,10H,4-7,9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyLYVJKRHUONDYOF-JTQLQIEISA-N
MW310.35 g/mol
LogP-0.06
Rot. Bonds6

About 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide

2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide (PubChem CID 95229551) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide
PubChem CID95229551
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCC[C@H]2CN(C)CCO2)nc(OC)n1
InChIInChI=1S/C14H22N4O4/c1-18-6-7-22-10(9-18)4-5-15-13(19)11-8-12(20-2)17-14(16-11)21-3/h8,10H,4-7,9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyLYVJKRHUONDYOF-JTQLQIEISA-N
XLogP-0.06
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
N-[1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 53580426
6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628546
6-methoxy-N-(2-(3-methyl-6-oxopyridazin-1(6H)-yl)ethyl)pyrimidine-4-carboxamide
CID 91628569
6-Methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 171767601
methyl (2S,4S)-4-{[(2,6-dimethoxypyrimidin-4-yl)carbonyl]amino}-1-methylpyrrolidine-2-carboxylate
CID 50959170
(2,6-Dimethoxypyrimidin-4-yl)-morpholin-4-ylmethanone
CID 3286661
3-[(2,6-Dimethoxypyrimidin-4-yl)carbonyl]-3,9-diazaspiro[5.6]dodecan-10-one
CID 56722831
(6-Ethoxypyrimidin-4-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
CID 91816284
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91816289
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 136565230
N-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 164635280

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide (CID 95229551) is 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NCC[C@H]2CN(C)CCO2)nc(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is LYVJKRHUONDYOF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O4/c1-18-6-7-22-10(9-18)4-5-15-13(19)11-8-12(20-2)17-14(16-11)21-3/h8,10H,4-7,9H2,1-3H3,(H,15,19)/t10-/m0/s1.
What are the key properties of 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide?
2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 95229551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).