(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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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).