2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide

C16H24N4O3 — CID 133268181

IUPAC2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1CCOC[C@@H]1Nc1cc(C2CC2)ncn1
InChIInChI=1S/C16H24N4O3/c1-20(2)16(21)9-23-14-5-6-22-8-13(14)19-15-7-12(11-3-4-11)17-10-18-15/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,17,18,19)/t13-,14+/m0/s1
InChIKeyVAHSFCGEYGJKCH-UONOGXRCSA-N
MW320.39 g/mol
LogP1.03
Rot. Bonds6

About 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide

2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide (PubChem CID 133268181) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
PubChem CID133268181
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1CCOC[C@@H]1Nc1cc(C2CC2)ncn1
InChIInChI=1S/C16H24N4O3/c1-20(2)16(21)9-23-14-5-6-22-8-13(14)19-15-7-12(11-3-4-11)17-10-18-15/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,17,18,19)/t13-,14+/m0/s1
InChIKeyVAHSFCGEYGJKCH-UONOGXRCSA-N
XLogP1.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide (CID 133268181) is 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide is CN(C)C(=O)CO[C@@H]1CCOC[C@@H]1Nc1cc(C2CC2)ncn1.
What is the InChIKey of 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
The InChIKey is VAHSFCGEYGJKCH-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-20(2)16(21)9-23-14-5-6-22-8-13(14)19-15-7-12(11-3-4-11)17-10-18-15/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,17,18,19)/t13-,14+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide has a molecular weight of 320.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 133268181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).