6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine

C7H9ClF2N4 — CID 115611744

IUPAC6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(CC(F)F)c1cc(Cl)nc(N)n1
InChIInChI=1S/C7H9ClF2N4/c1-14(3-5(9)10)6-2-4(8)12-7(11)13-6/h2,5H,3H2,1H3,(H2,11,12,13)
InChIKeyVNWCPEBYNVNMMO-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.41
Rot. Bonds3

About 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine

6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 115611744) has the molecular formula C7H9ClF2N4 and a molecular weight of 222.63 g/mol. Its IUPAC name is 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID115611744
Molecular FormulaC7H9ClF2N4
Molecular Weight222.63 g/mol
Exact Mass222.05
IUPAC Name6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(CC(F)F)c1cc(Cl)nc(N)n1
InChIInChI=1S/C7H9ClF2N4/c1-14(3-5(9)10)6-2-4(8)12-7(11)13-6/h2,5H,3H2,1H3,(H2,11,12,13)
InChIKeyVNWCPEBYNVNMMO-UHFFFAOYSA-N
XLogP1.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 31537715
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 60567566
6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 78926170
3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine
CID 102759999
2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide
CID 31537862
6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 78952189
6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 80735308
6-chloro-4-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 133315062
4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine
CID 80735715
1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80908741

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine (CID 115611744) is 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine is CN(CC(F)F)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is VNWCPEBYNVNMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N4/c1-14(3-5(9)10)6-2-4(8)12-7(11)13-6/h2,5H,3H2,1H3,(H2,11,12,13).
What are the key properties of 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine?
6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 222.63 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 115611744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).