4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine

C10H10ClN5O2S — CID 172624279

IUPAC4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1cc(Cl)cnc1Nc1cc(N)ncn1
InChIInChI=1S/C10H10ClN5O2S/c1-19(17,18)7-2-6(11)4-13-10(7)16-9-3-8(12)14-5-15-9/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyXHSBEYKPYDEIAN-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.25
Rot. Bonds3

About 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine

4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine (PubChem CID 172624279) has the molecular formula C10H10ClN5O2S and a molecular weight of 299.74 g/mol. Its IUPAC name is 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine
PubChem CID172624279
Molecular FormulaC10H10ClN5O2S
Molecular Weight299.74 g/mol
Exact Mass299.02
IUPAC Name4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1cc(Cl)cnc1Nc1cc(N)ncn1
InChIInChI=1S/C10H10ClN5O2S/c1-19(17,18)7-2-6(11)4-13-10(7)16-9-3-8(12)14-5-15-9/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyXHSBEYKPYDEIAN-UHFFFAOYSA-N
XLogP1.25
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
CID 175234065
4-N-(5-methoxy-3-methylsulfanyl-2-pyridinyl)pyrimidine-4,6-diamine
CID 172624248
(5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate
CID 175309574
4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine
CID 89380661
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19147120
5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine
CID 171049262
4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 67700761
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
4-N-[3-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 116701008
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
2-[(6-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841289

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine (CID 172624279) is 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine is CS(=O)(=O)c1cc(Cl)cnc1Nc1cc(N)ncn1.
What is the InChIKey of 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine?
The InChIKey is XHSBEYKPYDEIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2S/c1-19(17,18)7-2-6(11)4-13-10(7)16-9-3-8(12)14-5-15-9/h2-5H,1H3,(H3,12,13,14,15,16).
What are the key properties of 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine?
4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine has a molecular weight of 299.74 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 172624279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).