N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine

C17H17ClN6O — CID 16820943

IUPACN-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc3nccnc23)cc1Cl
InChIInChI=1S/C17H17ClN6O/c1-11-2-3-12(10-13(11)18)21-16-14-15(20-5-4-19-14)22-17(23-16)24-6-8-25-9-7-24/h2-5,10H,6-9H2,1H3,(H,20,21,22,23)
InChIKeyZCHAZUKZHQVPCW-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.96
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine

N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine (PubChem CID 16820943) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine
PubChem CID16820943
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc3nccnc23)cc1Cl
InChIInChI=1S/C17H17ClN6O/c1-11-2-3-12(10-13(11)18)21-16-14-15(20-5-4-19-14)22-17(23-16)24-6-8-25-9-7-24/h2-5,10H,6-9H2,1H3,(H,20,21,22,23)
InChIKeyZCHAZUKZHQVPCW-UHFFFAOYSA-N
XLogP2.96
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine (CID 16820943) is N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine is Cc1ccc(Nc2nc(N3CCOCC3)nc3nccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine?
The InChIKey is ZCHAZUKZHQVPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-11-2-3-12(10-13(11)18)21-16-14-15(20-5-4-19-14)22-17(23-16)24-6-8-25-9-7-24/h2-5,10H,6-9H2,1H3,(H,20,21,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine?
N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine has a molecular weight of 356.82 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-morpholin-4-ylpteridin-4-amine is sourced from PubChem (CID 16820943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).