6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine

C14H18Cl2N6O2S — CID 130466479

IUPAC6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine
SMILESCS(=O)(=O)c1nc(NCCN2CCCCC2)c2nc(Cl)c(Cl)nc2n1
InChIInChI=1S/C14H18Cl2N6O2S/c1-25(23,24)14-20-12(17-5-8-22-6-3-2-4-7-22)9-13(21-14)19-11(16)10(15)18-9/h2-8H2,1H3,(H,17,19,20,21)
InChIKeyKIBUHPHIAPYKOF-UHFFFAOYSA-N
MW405.31 g/mol
LogP2.03
Rot. Bonds5

About 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine

6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine (PubChem CID 130466479) has the molecular formula C14H18Cl2N6O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine.

Molecular Properties

Compound Name6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine
PubChem CID130466479
Molecular FormulaC14H18Cl2N6O2S
Molecular Weight405.31 g/mol
Exact Mass404.06
IUPAC Name6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine
SMILESCS(=O)(=O)c1nc(NCCN2CCCCC2)c2nc(Cl)c(Cl)nc2n1
InChIInChI=1S/C14H18Cl2N6O2S/c1-25(23,24)14-20-12(17-5-8-22-6-3-2-4-7-22)9-13(21-14)19-11(16)10(15)18-9/h2-8H2,1H3,(H,17,19,20,21)
InChIKeyKIBUHPHIAPYKOF-UHFFFAOYSA-N
XLogP2.03
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane
CID 145022023
6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 118892576
6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 79557700
3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 102750717
2,6-dichloro-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 118892550
6-chloro-2-(4-methylpiperazin-1-yl)-4-N,7-N-bis[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine
CID 118892615
N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine
CID 106194013
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
4-[2-(azepan-1-yl)ethylamino]-6-chloropyrimidine-5-carbaldehyde
CID 106193990
3-chloro-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 62634309
N-[2-(azepan-1-yl)ethyl]-6-chloropyridin-2-amine
CID 107257793
N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
CID 83064744

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine?
The IUPAC name of 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine (CID 130466479) is 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine.
What is the SMILES notation for 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine?
The canonical SMILES for 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine is CS(=O)(=O)c1nc(NCCN2CCCCC2)c2nc(Cl)c(Cl)nc2n1.
What is the InChIKey of 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine?
The InChIKey is KIBUHPHIAPYKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N6O2S/c1-25(23,24)14-20-12(17-5-8-22-6-3-2-4-7-22)9-13(21-14)19-11(16)10(15)18-9/h2-8H2,1H3,(H,17,19,20,21).
What are the key properties of 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine?
6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine has a molecular weight of 405.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine is sourced from PubChem (CID 130466479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).