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

C27H31N7O2 — CID 11752087

IUPAC6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine
SMILESCCCc1cccc(N2CCN(c3nc(N)nc4ncc(-c5ccc(OC)c(OC)c5)nc34)CC2)c1
InChIInChI=1S/C27H31N7O2/c1-4-6-18-7-5-8-20(15-18)33-11-13-34(14-12-33)26-24-25(31-27(28)32-26)29-17-21(30-24)19-9-10-22(35-2)23(16-19)36-3/h5,7-10,15-17H,4,6,11-14H2,1-3H3,(H2,28,29,31,32)
InChIKeyKSYCBLGVHYAEJS-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.97
Rot. Bonds7

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

6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine (PubChem CID 11752087) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine
PubChem CID11752087
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine
SMILESCCCc1cccc(N2CCN(c3nc(N)nc4ncc(-c5ccc(OC)c(OC)c5)nc34)CC2)c1
InChIInChI=1S/C27H31N7O2/c1-4-6-18-7-5-8-20(15-18)33-11-13-34(14-12-33)26-24-25(31-27(28)32-26)29-17-21(30-24)19-9-10-22(35-2)23(16-19)36-3/h5,7-10,15-17H,4,6,11-14H2,1-3H3,(H2,28,29,31,32)
InChIKeyKSYCBLGVHYAEJS-UHFFFAOYSA-N
XLogP3.97
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.97
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-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11364490
4-(4-cyclopentylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11453334
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-methyl-N-phenylpiperazine-1-carboxamide
CID 11318021
(2-chlorophenyl) 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate
CID 11329883
4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 11785248
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-cyano-N'-(4-methylphenyl)piperazine-1-carboximidamide
CID 110171974
1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-(4-azidophenyl)butan-1-one
CID 110171971
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 11237571
bis(4-N,4-N-dibenzyl-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine);hydrate
CID 87999021
6-(3,4-dimethoxyphenyl)-4-[2-(naphthalen-1-ylmethyl)piperazin-1-yl]pteridin-2-amine
CID 69449995

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine (CID 11752087) is 6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine is CCCc1cccc(N2CCN(c3nc(N)nc4ncc(-c5ccc(OC)c(OC)c5)nc34)CC2)c1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine?
The InChIKey is KSYCBLGVHYAEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-4-6-18-7-5-8-20(15-18)33-11-13-34(14-12-33)26-24-25(31-27(28)32-26)29-17-21(30-24)19-9-10-22(35-2)23(16-19)36-3/h5,7-10,15-17H,4,6,11-14H2,1-3H3,(H2,28,29,31,32).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine?
6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine has a molecular weight of 485.59 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine is sourced from PubChem (CID 11752087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).