N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide

C15H23N3O2 — CID 95550396

IUPACN-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N(C)C[C@H]2CCCCO2)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/t12-/m1/s1
InChIKeyHYAZJOZKHWONQX-GFCCVEGCSA-N
MW277.37 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide

N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 95550396) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID95550396
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N(C)C[C@H]2CCCCO2)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/t12-/m1/s1
InChIKeyHYAZJOZKHWONQX-GFCCVEGCSA-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

Analyze N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 95217132
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-1,8-naphthyridine-2-carboxamide
CID 95189773
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 127943943
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 86782770
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107252486
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374782
4-(3-amino-2-pyridinyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 126435144

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 95550396) is N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)N(C)C[C@H]2CCCCO2)n1.
What is the InChIKey of N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is HYAZJOZKHWONQX-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-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-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 95550396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).