2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide

C12H17N3O4 — CID 164633860

IUPAC2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N[C@H]2COCC[C@@H]2OC)cn1
InChIInChI=1S/C12H17N3O4/c1-17-10-3-4-19-7-9(10)15-11(16)8-5-13-12(18-2)14-6-8/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyNEKPRZXRSUDWHW-UWVGGRQHSA-N
MW267.28 g/mol
LogP0.02
Rot. Bonds4

About 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide

2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide (PubChem CID 164633860) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide
PubChem CID164633860
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N[C@H]2COCC[C@@H]2OC)cn1
InChIInChI=1S/C12H17N3O4/c1-17-10-3-4-19-7-9(10)15-11(16)8-5-13-12(18-2)14-6-8/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyNEKPRZXRSUDWHW-UWVGGRQHSA-N
XLogP0.02
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide (CID 164633860) is 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide is COc1ncc(C(=O)N[C@H]2COCC[C@@H]2OC)cn1.
What is the InChIKey of 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is NEKPRZXRSUDWHW-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-17-10-3-4-19-7-9(10)15-11(16)8-5-13-12(18-2)14-6-8/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide?
2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 164633860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).