4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine

C25H25Cl2N7O2 — CID 11364490

IUPAC4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)c3n2)cc1OC
InChIInChI=1S/C25H25Cl2N7O2/c1-35-20-6-4-16(12-21(20)36-2)19-13-29-23-22(30-19)24(32-25(28)31-23)34-9-7-33(8-10-34)14-15-3-5-17(26)18(27)11-15/h3-6,11-13H,7-10,14H2,1-2H3,(H2,28,29,31,32)
InChIKeyMZLDHIMHNMZPOG-UHFFFAOYSA-N
MW526.43 g/mol
LogP4.32
Rot. Bonds6

About 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine

4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine (PubChem CID 11364490) has the molecular formula C25H25Cl2N7O2 and a molecular weight of 526.43 g/mol. Its IUPAC name is 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
PubChem CID11364490
Molecular FormulaC25H25Cl2N7O2
Molecular Weight526.43 g/mol
Exact Mass525.14
IUPAC Name4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)c3n2)cc1OC
InChIInChI=1S/C25H25Cl2N7O2/c1-35-20-6-4-16(12-21(20)36-2)19-13-29-23-22(30-19)24(32-25(28)31-23)34-9-7-33(8-10-34)14-15-3-5-17(26)18(27)11-15/h3-6,11-13H,7-10,14H2,1-2H3,(H2,28,29,31,32)
InChIKeyMZLDHIMHNMZPOG-UHFFFAOYSA-N
XLogP4.32
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine
CID 69458973
4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 69461952
4-(4-cyclopentylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11453334
(2-chlorophenyl) 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate
CID 11329883
6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine
CID 11752087
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-methyl-N-phenylpiperazine-1-carboxamide
CID 11318021
4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 11785248
1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-(4-azidophenyl)butan-1-one
CID 110171971
1-(3,5-dichloro-2-pyridinyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 112772605
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 11237571
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-cyano-N'-(4-methylphenyl)piperazine-1-carboximidamide
CID 110171974
4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 69452297

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The IUPAC name of 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine (CID 11364490) is 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)c3n2)cc1OC.
What is the InChIKey of 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The InChIKey is MZLDHIMHNMZPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N7O2/c1-35-20-6-4-16(12-21(20)36-2)19-13-29-23-22(30-19)24(32-25(28)31-23)34-9-7-33(8-10-34)14-15-3-5-17(26)18(27)11-15/h3-6,11-13H,7-10,14H2,1-2H3,(H2,28,29,31,32).
What are the key properties of 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine has a molecular weight of 526.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine is sourced from PubChem (CID 11364490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).