6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine

C19H29ClN8O3S — CID 118892576

IUPAC6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
SMILESCS(=O)c1nc(NCCN2CCOCC2)c2nc(Cl)c(NCCN3CCOCC3)nc2n1
InChIInChI=1S/C19H29ClN8O3S/c1-32(29)19-25-16(21-2-4-27-6-10-30-11-7-27)14-17(26-19)24-18(15(20)23-14)22-3-5-28-8-12-31-13-9-28/h2-13H2,1H3,(H2,21,22,24,25,26)
InChIKeyMISBWBRMKPHCLU-UHFFFAOYSA-N
MW485.01 g/mol
LogP0.30
Rot. Bonds9

About 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine

6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine (PubChem CID 118892576) has the molecular formula C19H29ClN8O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine.

Molecular Properties

Compound Name6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
PubChem CID118892576
Molecular FormulaC19H29ClN8O3S
Molecular Weight485.01 g/mol
Exact Mass484.18
IUPAC Name6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
SMILESCS(=O)c1nc(NCCN2CCOCC2)c2nc(Cl)c(NCCN3CCOCC3)nc2n1
InChIInChI=1S/C19H29ClN8O3S/c1-32(29)19-25-16(21-2-4-27-6-10-30-11-7-27)14-17(26-19)24-18(15(20)23-14)22-3-5-28-8-12-31-13-9-28/h2-13H2,1H3,(H2,21,22,24,25,26)
InChIKeyMISBWBRMKPHCLU-UHFFFAOYSA-N
XLogP0.30
TPSA117.63 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.01
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

2,6-dichloro-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 118892550
6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane
CID 145022023
6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;6-chloro-2-(4-methylpiperazin-1-yl)-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;2,6-dichloro-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;2,4,6,7-tetrachloropteridine
CID 157204411
6-chloro-2-(4-methylpiperazin-1-yl)-4-N,7-N-bis[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine
CID 118892615
6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine
CID 130466479
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80980968
1-[4-[2-[[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 60503135
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
3,5-dichloro-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-diamine
CID 102755704
4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 145022020
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine?
The IUPAC name of 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine (CID 118892576) is 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine.
What is the SMILES notation for 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine?
The canonical SMILES for 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine is CS(=O)c1nc(NCCN2CCOCC2)c2nc(Cl)c(NCCN3CCOCC3)nc2n1.
What is the InChIKey of 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine?
The InChIKey is MISBWBRMKPHCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN8O3S/c1-32(29)19-25-16(21-2-4-27-6-10-30-11-7-27)14-17(26-19)24-18(15(20)23-14)22-3-5-28-8-12-31-13-9-28/h2-13H2,1H3,(H2,21,22,24,25,26).
What are the key properties of 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine?
6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine has a molecular weight of 485.01 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine is sourced from PubChem (CID 118892576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).