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

C17H25N3O3 — CID 91795988

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 Name2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide
PubChem CID91795988
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2,6-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
XLogP1.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 133265512
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 91798169
5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide
CID 133266154
2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide
CID 91776897
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 133267242
1-ethyl-3,5-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazole-4-carboxamide
CID 91797549
2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91794863
3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 133265575
7-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91781697
5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 133265741
2-amino-N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-6-methylpyrimidine-4-carboxamide
CID 91829216

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).