6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane

C21H35ClN8O2 — CID 145022023

IUPAC6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane
SMILESCC.Cc1nc(NCCN2CCOCC2)c2nc(Cl)c(NCCN3CCOCC3)nc2n1
InChIInChI=1S/C19H29ClN8O2.C2H6/c1-14-23-17(21-2-4-27-6-10-29-11-7-27)15-18(24-14)26-19(16(20)25-15)22-3-5-28-8-12-30-13-9-28;1-2/h2-13H2,1H3,(H2,21,22,23,24,26);1-2H3
InChIKeyRZGUYFJXYKEDEG-UHFFFAOYSA-N
MW467.02 g/mol
LogP1.90
Rot. Bonds8

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

6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane (PubChem CID 145022023) has the molecular formula C21H35ClN8O2 and a molecular weight of 467.02 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane.

Molecular Properties

Compound Name6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane
PubChem CID145022023
Molecular FormulaC21H35ClN8O2
Molecular Weight467.02 g/mol
Exact Mass466.26
IUPAC Name6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane
SMILESCC.Cc1nc(NCCN2CCOCC2)c2nc(Cl)c(NCCN3CCOCC3)nc2n1
InChIInChI=1S/C19H29ClN8O2.C2H6/c1-14-23-17(21-2-4-27-6-10-29-11-7-27)15-18(24-14)26-19(16(20)25-15)22-3-5-28-8-12-30-13-9-28;1-2/h2-13H2,1H3,(H2,21,22,23,24,26);1-2H3
InChIKeyRZGUYFJXYKEDEG-UHFFFAOYSA-N
XLogP1.90
TPSA100.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.02
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2,6-dichloro-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 118892550
6-chloro-2-methylsulfinyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 118892576
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-N-ethyl-2,5-dimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80778253
6-chloro-2-(4-methylpiperazin-1-yl)-4-N,7-N-bis[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine
CID 118892615
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
6,7-dichloro-2-methylsulfonyl-N-(2-piperidin-1-ylethyl)pteridin-4-amine
CID 130466479
6-ethoxy-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 82455409
2,5,6-trimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 23740566
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
2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine chloride
CID 53312605

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane?
The IUPAC name of 6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane (CID 145022023) is 6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane.
What is the SMILES notation for 6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane?
The canonical SMILES for 6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane is CC.Cc1nc(NCCN2CCOCC2)c2nc(Cl)c(NCCN3CCOCC3)nc2n1.
What is the InChIKey of 6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane?
The InChIKey is RZGUYFJXYKEDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN8O2.C2H6/c1-14-23-17(21-2-4-27-6-10-29-11-7-27)15-18(24-14)26-19(16(20)25-15)22-3-5-28-8-12-30-13-9-28;1-2/h2-13H2,1H3,(H2,21,22,23,24,26);1-2H3.
What are the key properties of 6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane?
6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane has a molecular weight of 467.02 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine;ethane is sourced from PubChem (CID 145022023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).