2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine

C7H8ClF2N3O — CID 169119413

IUPAC2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1NCC(F)F
InChIInChI=1S/C7H8ClF2N3O/c1-14-4-2-12-7(8)13-6(4)11-3-5(9)10/h2,5H,3H2,1H3,(H,11,12,13)
InChIKeyMGWHAEASEOSMAZ-UHFFFAOYSA-N
MW223.61 g/mol
LogP1.82
Rot. Bonds4

About 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine

2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine (PubChem CID 169119413) has the molecular formula C7H8ClF2N3O and a molecular weight of 223.61 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
PubChem CID169119413
Molecular FormulaC7H8ClF2N3O
Molecular Weight223.61 g/mol
Exact Mass223.03
IUPAC Name2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1NCC(F)F
InChIInChI=1S/C7H8ClF2N3O/c1-14-4-2-12-7(8)13-6(4)11-3-5(9)10/h2,5H,3H2,1H3,(H,11,12,13)
InChIKeyMGWHAEASEOSMAZ-UHFFFAOYSA-N
XLogP1.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
CID 130543368
2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 79633418
4-tert-butyl-2-chloro-5-methoxypyrimidine
CID 151911521
2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine
CID 144841186
(2-chloro-5-methoxypyrimidin-4-yl)carbamothioylcarbamic acid
CID 89297706
2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine
CID 170316954
2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 86618550
2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 175444724
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737
2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 175444723
2-chloro-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 79080884
2-chloro-5-fluoro-N-(2-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 79080736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine (CID 169119413) is 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine is COc1cnc(Cl)nc1NCC(F)F.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine?
The InChIKey is MGWHAEASEOSMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3O/c1-14-4-2-12-7(8)13-6(4)11-3-5(9)10/h2,5H,3H2,1H3,(H,11,12,13).
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine?
2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine has a molecular weight of 223.61 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 169119413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).