5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide

C16H19N5O2 — CID 124957512

IUPAC5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)cn1
InChIInChI=1S/C16H19N5O2/c1-11-7-19-14(9-18-11)16(22)20-8-13-4-5-17-15(21-13)12-3-2-6-23-10-12/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyFZIKKKNXWGXWPS-LBPRGKRZSA-N
MW313.36 g/mol
LogP1.40
Rot. Bonds4

About 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide

5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide (PubChem CID 124957512) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide
PubChem CID124957512
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)cn1
InChIInChI=1S/C16H19N5O2/c1-11-7-19-14(9-18-11)16(22)20-8-13-4-5-17-15(21-13)12-3-2-6-23-10-12/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyFZIKKKNXWGXWPS-LBPRGKRZSA-N
XLogP1.40
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide
CID 125025075
2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117950
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124939962
2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117974
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117996
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide
CID 125016091
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
CID 110118014
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
CID 125021480
2-imidazol-1-yl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117959
2-(2-fluorophenoxy)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124987265
2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983721
4-fluoro-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 110118016

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide (CID 124957512) is 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)cn1.
What is the InChIKey of 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is FZIKKKNXWGXWPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-7-19-14(9-18-11)16(22)20-8-13-4-5-17-15(21-13)12-3-2-6-23-10-12/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide?
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 124957512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).