N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide

C15H23N3O2 — CID 56870251

IUPACN-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N(C)CC2CCCCO2)n1
InChIInChI=1S/C15H23N3O2/c1-11(2)14-16-8-7-13(17-14)15(19)18(3)10-12-6-4-5-9-20-12/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyHYAZJOZKHWONQX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide

N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 56870251) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID56870251
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N(C)CC2CCCCO2)n1
InChIInChI=1S/C15H23N3O2/c1-11(2)14-16-8-7-13(17-14)15(19)18(3)10-12-6-4-5-9-20-12/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyHYAZJOZKHWONQX-UHFFFAOYSA-N
XLogP2.24
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrimidine-4-carboxamide
CID 71980130
[(2S,3aS,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97367286
[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97369188
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97369347
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369453
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369659
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419481
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419711
2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 47256757
N-Cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide
CID 71934863
N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide
CID 71975447
N-ethyl-2-methyl-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
CID 86768261

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 56870251) is N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)N(C)CC2CCCCO2)n1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is HYAZJOZKHWONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)14-16-8-7-13(17-14)15(19)18(3)10-12-6-4-5-9-20-12/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 56870251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).