2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide

C14H21N3O2 — CID 97190610

IUPAC2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)C[C@H]2CCCCO2)cn1
InChIInChI=1S/C14H21N3O2/c1-3-13-15-8-11(9-16-13)14(18)17(2)10-12-6-4-5-7-19-12/h8-9,12H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyWLKAEQCBHQJZHJ-GFCCVEGCSA-N
MW263.34 g/mol
LogP1.68
Rot. Bonds4

About 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide

2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 97190610) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide
PubChem CID97190610
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)C[C@H]2CCCCO2)cn1
InChIInChI=1S/C14H21N3O2/c1-3-13-15-8-11(9-16-13)14(18)17(2)10-12-6-4-5-7-19-12/h8-9,12H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyWLKAEQCBHQJZHJ-GFCCVEGCSA-N
XLogP1.68
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxycyclohexyl)amino]-4-[[(3R)-oxan-3-yl]amino]pyrimidine-5-carboxamide
CID 71237338
N-ethyl-5-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-2-pyrimidinamine
CID 56863342
(2R*,6S*)-4-[(2-ethyl-5-pyrimidinyl)carbonyl]-2,6-dimethylmorpholine
CID 72861818
N,2-diethyl-N-(2-methoxyethyl)-5-pyrimidinecarboxamide
CID 72871529
Azepan-1-yl-[4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]methanone
CID 110246370
4-[[2-(Oxan-2-yl)pyrimidin-5-yl]methyl]morpholine
CID 118740131
Morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
(2-Methoxypyrimidin-5-yl)(piperidin-1-yl)methanone
CID 49664407
2-ethyl-5-{[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}pyrimidine
CID 72839890
N,N-dimethyl-5-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576652
7-Oxa-4-azaspiro[2.5]octan-4-yl(pyrimidin-5-yl)methanone
CID 128292085
[(7S)-7-tert-butyl-1,4-oxazepan-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 164632953

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide (CID 97190610) is 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)N(C)C[C@H]2CCCCO2)cn1.
What is the InChIKey of 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is WLKAEQCBHQJZHJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-13-15-8-11(9-16-13)14(18)17(2)10-12-6-4-5-7-19-12/h8-9,12H,3-7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide?
2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 97190610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).