6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine

C23H29ClN8O — CID 71472680

IUPAC6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine
SMILESCN1CCN(c2nc3nc(-c4ccccc4)nc(NCCN4CCOCC4)c3nc2Cl)CC1
InChIInChI=1S/C23H29ClN8O/c1-30-9-11-32(12-10-30)23-19(24)26-18-21(25-7-8-31-13-15-33-16-14-31)27-20(28-22(18)29-23)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,25,27,28,29)
InChIKeyWYHASYMNZLDPMO-UHFFFAOYSA-N
MW468.99 g/mol
LogP2.24
Rot. Bonds6

About 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine

6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine (PubChem CID 71472680) has the molecular formula C23H29ClN8O and a molecular weight of 468.99 g/mol. Its IUPAC name is 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine.

Molecular Properties

Compound Name6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine
PubChem CID71472680
Molecular FormulaC23H29ClN8O
Molecular Weight468.99 g/mol
Exact Mass468.22
IUPAC Name6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine
SMILESCN1CCN(c2nc3nc(-c4ccccc4)nc(NCCN4CCOCC4)c3nc2Cl)CC1
InChIInChI=1S/C23H29ClN8O/c1-30-9-11-32(12-10-30)23-19(24)26-18-21(25-7-8-31-13-15-33-16-14-31)27-20(28-22(18)29-23)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,25,27,28,29)
InChIKeyWYHASYMNZLDPMO-UHFFFAOYSA-N
XLogP2.24
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine?
The IUPAC name of 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine (CID 71472680) is 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine.
What is the SMILES notation for 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine?
The canonical SMILES for 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine is CN1CCN(c2nc3nc(-c4ccccc4)nc(NCCN4CCOCC4)c3nc2Cl)CC1.
What is the InChIKey of 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine?
The InChIKey is WYHASYMNZLDPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN8O/c1-30-9-11-32(12-10-30)23-19(24)26-18-21(25-7-8-31-13-15-33-16-14-31)27-20(28-22(18)29-23)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,25,27,28,29).
What are the key properties of 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine?
6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine has a molecular weight of 468.99 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylpteridin-4-amine is sourced from PubChem (CID 71472680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).