N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine

C18H20ClN7O — CID 171653777

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCN(C)CC3)nc3nccnc23)cc1Cl
InChIInChI=1S/C18H20ClN7O/c1-25-7-9-26(10-8-25)18-23-16-15(20-5-6-21-16)17(24-18)22-12-3-4-14(27-2)13(19)11-12/h3-6,11H,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyFWKDYAXZWDOPPS-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.58
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine

N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine (PubChem CID 171653777) has the molecular formula C18H20ClN7O and a molecular weight of 385.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine
PubChem CID171653777
Molecular FormulaC18H20ClN7O
Molecular Weight385.86 g/mol
Exact Mass385.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCN(C)CC3)nc3nccnc23)cc1Cl
InChIInChI=1S/C18H20ClN7O/c1-25-7-9-26(10-8-25)18-23-16-15(20-5-6-21-16)17(24-18)22-12-3-4-14(27-2)13(19)11-12/h3-6,11H,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyFWKDYAXZWDOPPS-UHFFFAOYSA-N
XLogP2.58
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820881
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820883
N-(3-chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968425
trans-(1S,2S)-2-[3-[[2-(4-methylpiperazin-1-yl)pteridin-4-yl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 171653785
N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
CID 16910730
4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1256691
N-(3-chloro-4-methoxyphenyl)-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]quinolin-4-amine
CID 155560034
N-(4-chlorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]pteridin-4-amine
CID 16910658
N-(3-chloro-4-methoxyphenyl)-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 2901969
N-(3-chloro-4-methoxyphenyl)-6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 27602542
ethyl 4-[4-(3-chloro-4-methoxyanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112898023

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine (CID 171653777) is N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine is COc1ccc(Nc2nc(N3CCN(C)CC3)nc3nccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine?
The InChIKey is FWKDYAXZWDOPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O/c1-25-7-9-26(10-8-25)18-23-16-15(20-5-6-21-16)17(24-18)22-12-3-4-14(27-2)13(19)11-12/h3-6,11H,7-10H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine?
N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine has a molecular weight of 385.86 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine is sourced from PubChem (CID 171653777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).