6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine

C9H15ClN4O2S — CID 71978665

IUPAC6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)(CNc1cc(Cl)nc(N)n1)S(C)(=O)=O
InChIInChI=1S/C9H15ClN4O2S/c1-9(2,17(3,15)16)5-12-7-4-6(10)13-8(11)14-7/h4H,5H2,1-3H3,(H3,11,12,13,14)
InChIKeyVWNMDVFJCGBJKF-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.95
Rot. Bonds4

About 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine

6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine (PubChem CID 71978665) has the molecular formula C9H15ClN4O2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine
PubChem CID71978665
Molecular FormulaC9H15ClN4O2S
Molecular Weight278.76 g/mol
Exact Mass278.06
IUPAC Name6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)(CNc1cc(Cl)nc(N)n1)S(C)(=O)=O
InChIInChI=1S/C9H15ClN4O2S/c1-9(2,17(3,15)16)5-12-7-4-6(10)13-8(11)14-7/h4H,5H2,1-3H3,(H3,11,12,13,14)
InChIKeyVWNMDVFJCGBJKF-UHFFFAOYSA-N
XLogP0.95
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

n4-Butyl-6-chloropyrimidine-2,4-diamine
CID 229862
6-chloro-N-ethyl-2-(methylsulfanyl)-4-pyrimidinamine
CID 1484542
4,6-Dichloro-2-(methanesulfonylmethyl)pyrimidine
CID 58137114
6-chloro-4-N-propylpyrimidine-2,4-diamine
CID 235447
2-Amino-4-isobutylamino-6-chloropyrimidine
CID 235897
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)butane-1-sulfonamide
CID 45502760
6-chloro-N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387382
6-Chloro-n4-ethylpyrimidine-2,4-diamine
CID 229050
6-chloro-N~4~-(3-methylbutyl)pyrimidine-2,4-diamine
CID 21433273
4-Chloro-6-isopropylamino-2-methylthiopyrimidine
CID 26370202
6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine
CID 102582821
4-N-(2-ethylsulfonylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 105788977

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine (CID 71978665) is 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine is CC(C)(CNc1cc(Cl)nc(N)n1)S(C)(=O)=O.
What is the InChIKey of 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine?
The InChIKey is VWNMDVFJCGBJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2S/c1-9(2,17(3,15)16)5-12-7-4-6(10)13-8(11)14-7/h4H,5H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine has a molecular weight of 278.76 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71978665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).