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

C23H32N8O2 — CID 69461952

IUPAC4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCCCC(N)CN1CCN(c2nc(N)nc3ncc(-c4ccc(OC)c(OC)c4)nc23)CC1
InChIInChI=1S/C23H32N8O2/c1-4-5-16(24)14-30-8-10-31(11-9-30)22-20-21(28-23(25)29-22)26-13-17(27-20)15-6-7-18(32-2)19(12-15)33-3/h6-7,12-13,16H,4-5,8-11,14,24H2,1-3H3,(H2,25,26,28,29)
InChIKeyHKEGTOIXNKOLJU-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.94
Rot. Bonds8

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

4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine (PubChem CID 69461952) has the molecular formula C23H32N8O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
PubChem CID69461952
Molecular FormulaC23H32N8O2
Molecular Weight452.56 g/mol
Exact Mass452.26
IUPAC Name4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCCCC(N)CN1CCN(c2nc(N)nc3ncc(-c4ccc(OC)c(OC)c4)nc23)CC1
InChIInChI=1S/C23H32N8O2/c1-4-5-16(24)14-30-8-10-31(11-9-30)22-20-21(28-23(25)29-22)26-13-17(27-20)15-6-7-18(32-2)19(12-15)33-3/h6-7,12-13,16H,4-5,8-11,14,24H2,1-3H3,(H2,25,26,28,29)
InChIKeyHKEGTOIXNKOLJU-UHFFFAOYSA-N
XLogP1.94
TPSA128.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine
CID 69458973
4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11364490
6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine
CID 11752087
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
1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one
CID 69451906
4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
CID 11164068
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
1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-(4-azidophenyl)butan-1-one
CID 110171971

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The IUPAC name of 4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine (CID 69461952) is 4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine is CCCC(N)CN1CCN(c2nc(N)nc3ncc(-c4ccc(OC)c(OC)c4)nc23)CC1.
What is the InChIKey of 4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The InChIKey is HKEGTOIXNKOLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-4-5-16(24)14-30-8-10-31(11-9-30)22-20-21(28-23(25)29-22)26-13-17(27-20)15-6-7-18(32-2)19(12-15)33-3/h6-7,12-13,16H,4-5,8-11,14,24H2,1-3H3,(H2,25,26,28,29).
What are the key properties of 4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine has a molecular weight of 452.56 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine is sourced from PubChem (CID 69461952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).