2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine

C7H9F2N3O2 — CID 170733741

IUPAC2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine
SMILESCOc1nc(OCC(F)F)ncc1N
InChIInChI=1S/C7H9F2N3O2/c1-13-6-4(10)2-11-7(12-6)14-3-5(8)9/h2,5H,3,10H2,1H3
InChIKeyLNEHYJIONGSKJK-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.71
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine

2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine (PubChem CID 170733741) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine
PubChem CID170733741
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine
SMILESCOc1nc(OCC(F)F)ncc1N
InChIInChI=1S/C7H9F2N3O2/c1-13-6-4(10)2-11-7(12-6)14-3-5(8)9/h2,5H,3,10H2,1H3
InChIKeyLNEHYJIONGSKJK-UHFFFAOYSA-N
XLogP0.71
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxypyrimidin-5-amine
CID 13277465
2-Chloro-4-methoxypyrimidin-5-amine
CID 21186356
N-[2-methoxy-4-(trifluoromethoxy)pyrimidin-5-yl]acetamide
CID 132007009
N-(2,4-dimethoxypyrimidin-5-yl)propionamide
CID 71807563
4-(2-Methoxyethoxy)pyrimidin-5-amine
CID 79918226
N-(2,4-diethoxypyrimidin-5-yl)acetamide
CID 71807603
N-(2,4-diethoxypyrimidin-5-yl)methanesulfonamide
CID 71807620
7H-Pyrimido[4,5-b][1,4]oxazine
CID 45080409
4-Methoxy-5-acetamidopyrimidine
CID 126971276
5-Azido-2,4-dimethoxypyrimidine
CID 132991782
N-(2,4-dimethoxypyrimidin-5-yl)isobutyramide
CID 71807565
N-(2,4-Diethoxypyrimidin-5-YL)propanamide
CID 71807604

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine (CID 170733741) is 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine is COc1nc(OCC(F)F)ncc1N.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine?
The InChIKey is LNEHYJIONGSKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-13-6-4(10)2-11-7(12-6)14-3-5(8)9/h2,5H,3,10H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine?
2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine has a molecular weight of 205.16 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4-methoxypyrimidin-5-amine is sourced from PubChem (CID 170733741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).