5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine

C9H13F2N3O2 — CID 164908069

IUPAC5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CCC(F)F
InChIInChI=1S/C9H13F2N3O2/c1-15-7-5(3-4-6(10)11)8(16-2)14-9(12)13-7/h6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyCCDNHAFTFGOWSF-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.27
Rot. Bonds5

About 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine

5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 164908069) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID164908069
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CCC(F)F
InChIInChI=1S/C9H13F2N3O2/c1-15-7-5(3-4-6(10)11)8(16-2)14-9(12)13-7/h6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyCCDNHAFTFGOWSF-UHFFFAOYSA-N
XLogP1.27
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Trifluoro-methanesulfonic acid 5-isopropyl-2,6-dimethoxy-pyrimidin-4-yl ester
CID 58203520
5-Tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine
CID 162378491
4-(Difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine
CID 164907843
5-(2,2-Difluoroethyl)-4,6-dimethoxypyrimidin-2-amine
CID 164907871
5-(2,2-Difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
CID 164907912
4,6-Dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 164907942
5-(2-Fluoroethyl)-4,6-dimethoxypyrimidin-2-amine
CID 164907959
5-(2,2-Difluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908140
4-Methoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
CID 164908171
5-(2,3-Difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
CID 164908189
5-(3-Fluoropropyl)-4,6-dimethoxypyrimidin-2-amine
CID 164908196
4-Methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
CID 164908260

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine (CID 164908069) is 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine is COc1nc(N)nc(OC)c1CCC(F)F.
What is the InChIKey of 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is CCDNHAFTFGOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-15-7-5(3-4-6(10)11)8(16-2)14-9(12)13-7/h6H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 233.22 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 164908069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).