(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide

C16H22N6O2 — CID 167747051

IUPAC(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide
SMILESCN(C)c1cc(NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)ncn1
InChIInChI=1S/C16H22N6O2/c1-21(2)13-9-12(18-10-19-13)20-16(23)11-5-4-8-24-14(11)15-17-6-7-22(15)3/h6-7,9-11,14H,4-5,8H2,1-3H3,(H,18,19,20,23)/t11-,14-/m1/s1
InChIKeySQXHMOHUEPEXIG-BXUZGUMPSA-N
MW330.39 g/mol
LogP1.38
Rot. Bonds4

About (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide

(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide (PubChem CID 167747051) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide
PubChem CID167747051
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide
SMILESCN(C)c1cc(NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)ncn1
InChIInChI=1S/C16H22N6O2/c1-21(2)13-9-12(18-10-19-13)20-16(23)11-5-4-8-24-14(11)15-17-6-7-22(15)3/h6-7,9-11,14H,4-5,8H2,1-3H3,(H,18,19,20,23)/t11-,14-/m1/s1
InChIKeySQXHMOHUEPEXIG-BXUZGUMPSA-N
XLogP1.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 167939929
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
CID 128972109
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide
CID 136587113
(2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 167941814
(2R,3R)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128970673
(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 167843656
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150
6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine
CID 128977675
(2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 154794240

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide (CID 167747051) is (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide is CN(C)c1cc(NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)ncn1.
What is the InChIKey of (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide?
The InChIKey is SQXHMOHUEPEXIG-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-21(2)13-9-12(18-10-19-13)20-16(23)11-5-4-8-24-14(11)15-17-6-7-22(15)3/h6-7,9-11,14H,4-5,8H2,1-3H3,(H,18,19,20,23)/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide?
(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide is sourced from PubChem (CID 167747051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).