4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine

C19H22ClN7O — CID 16820944

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCCN3CCOCC3)nc3nccnc23)cc1Cl
InChIInChI=1S/C19H22ClN7O/c1-13-2-3-14(12-15(13)20)24-18-16-17(22-5-4-21-16)25-19(26-18)23-6-7-27-8-10-28-11-9-27/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25,26)
InChIKeyYTDLZBDNIDFMDF-UHFFFAOYSA-N
MW399.89 g/mol
LogP2.87
Rot. Bonds6

About 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine

4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine (PubChem CID 16820944) has the molecular formula C19H22ClN7O and a molecular weight of 399.89 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine
PubChem CID16820944
Molecular FormulaC19H22ClN7O
Molecular Weight399.89 g/mol
Exact Mass399.16
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCCN3CCOCC3)nc3nccnc23)cc1Cl
InChIInChI=1S/C19H22ClN7O/c1-13-2-3-14(12-15(13)20)24-18-16-17(22-5-4-21-16)25-19(26-18)23-6-7-27-8-10-28-11-9-27/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25,26)
InChIKeyYTDLZBDNIDFMDF-UHFFFAOYSA-N
XLogP2.87
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine (CID 16820944) is 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine is Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3nccnc23)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine?
The InChIKey is YTDLZBDNIDFMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7O/c1-13-2-3-14(12-15(13)20)24-18-16-17(22-5-4-21-16)25-19(26-18)23-6-7-27-8-10-28-11-9-27/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine?
4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine has a molecular weight of 399.89 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pteridine-2,4-diamine is sourced from PubChem (CID 16820944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).