N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide

C11H15N3O2 — CID 127943943

IUPACN-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
SMILESCN(C[C@H]1CCCO1)C(=O)c1ccncn1
InChIInChI=1S/C11H15N3O2/c1-14(7-9-3-2-6-16-9)11(15)10-4-5-12-8-13-10/h4-5,8-9H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyRUYTXRVTMDXRIL-SECBINFHSA-N
MW221.26 g/mol
LogP0.73
Rot. Bonds3

About N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide

N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 127943943) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
PubChem CID127943943
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
SMILESCN(C[C@H]1CCCO1)C(=O)c1ccncn1
InChIInChI=1S/C11H15N3O2/c1-14(7-9-3-2-6-16-9)11(15)10-4-5-12-8-13-10/h4-5,8-9H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyRUYTXRVTMDXRIL-SECBINFHSA-N
XLogP0.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 95550396
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
3-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105069188
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-1,8-naphthyridine-2-carboxamide
CID 95189773
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107252486
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide (CID 127943943) is N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide is CN(C[C@H]1CCCO1)C(=O)c1ccncn1.
What is the InChIKey of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is RUYTXRVTMDXRIL-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14(7-9-3-2-6-16-9)11(15)10-4-5-12-8-13-10/h4-5,8-9H,2-3,6-7H2,1H3/t9-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide?
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 127943943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).