2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide

Name: 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₅N₃O₃ — CID 91795988

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide

SMILESCc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)nc(C)n1

InChIInChI=1S/C17H25N3O3/c1-11-9-16(19-12(2)18-11)17(21)20-15-5-8-23-10-14(15)13-3-6-22-7-4-13/h9,13-15H,3-8,10H2,1-2H3,(H,20,21)/t14-,15-/m0/s1

InChIKeyCWSXVNOWKZYICJ-GJZGRUSLSA-N

MW319.40 g/mol

LogP1.65

Rot. Bonds3

About 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide

2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide (PubChem CID 91795988) has the molecular formula C₁₇H₂₅N₃O₃ and a molecular weight of 319.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name	2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide
PubChem CID	91795988
Molecular Formula	C₁₇H₂₅N₃O₃
Molecular Weight	319.40 g/mol
Exact Mass	319.19
IUPAC Name	2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide
SMILES	Cc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)nc(C)n1
InChI	InChI=1S/C17H25N3O3/c1-11-9-16(19-12(2)18-11)17(21)20-15-5-8-23-10-14(15)13-3-6-22-7-4-13/h9,13-15H,3-8,10H2,1-2H3,(H,20,21)/t14-,15-/m0/s1
InChIKey	CWSXVNOWKZYICJ-GJZGRUSLSA-N
XLogP	1.65
TPSA	73.34 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.40
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide?

The IUPAC name of 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide (CID 91795988) is 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide.

What is the SMILES notation for 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide?

The canonical SMILES for 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)nc(C)n1.

What is the InChIKey of 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide?

The InChIKey is CWSXVNOWKZYICJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-9-16(19-12(2)18-11)17(21)20-15-5-8-23-10-14(15)13-3-6-22-7-4-13/h9,13-15H,3-8,10H2,1-2H3,(H,20,21)/t14-,15-/m0/s1.

What are the key properties of 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide?

2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91795988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 91795988 — identifiers, structure, computed properties (public domain)

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