3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol

C10H15F2N3O3 — CID 114153778

IUPAC3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCOc1ncnc(OC)c1CNCC(F)(F)CO
InChIInChI=1S/C10H15F2N3O3/c1-17-8-7(9(18-2)15-6-14-8)3-13-4-10(11,12)5-16/h6,13,16H,3-5H2,1-2H3
InChIKeyCCMAECCOORDJQB-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.21
Rot. Bonds7

About 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 114153778) has the molecular formula C10H15F2N3O3 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID114153778
Molecular FormulaC10H15F2N3O3
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Name3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCOc1ncnc(OC)c1CNCC(F)(F)CO
InChIInChI=1S/C10H15F2N3O3/c1-17-8-7(9(18-2)15-6-14-8)3-13-4-10(11,12)5-16/h6,13,16H,3-5H2,1-2H3
InChIKeyCCMAECCOORDJQB-UHFFFAOYSA-N
XLogP0.21
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimethoxy-5-trifluoromethylpyrimidine
CID 118484820
4,6-Dimethoxy-5-methylpyrimidine
CID 2817978
1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine
CID 43552092
N-ethyl-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 68165142
4-Methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane
CID 143519467
4-(Difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine
CID 164907843
5-(Difluoromethoxymethyl)-4-methoxypyrimidin-2-amine
CID 164908279
4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carbothioamide
CID 171547875
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 43552097
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63225939
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63826413
6-methoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326659

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol (CID 114153778) is 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol is COc1ncnc(OC)c1CNCC(F)(F)CO.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is CCMAECCOORDJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3/c1-17-8-7(9(18-2)15-6-14-8)3-13-4-10(11,12)5-16/h6,13,16H,3-5H2,1-2H3.
What are the key properties of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 263.24 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 114153778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).