2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol

C20H25N7O — CID 16910970

IUPAC2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(C)c(Nc2nc(N3CCN(CCO)CC3)nc3nccnc23)c1
InChIInChI=1S/C20H25N7O/c1-14-3-4-15(2)16(13-14)23-19-17-18(22-6-5-21-17)24-20(25-19)27-9-7-26(8-10-27)11-12-28/h3-6,13,28H,7-12H2,1-2H3,(H,22,23,24,25)
InChIKeyYVXRQOOBZZWUSY-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol (PubChem CID 16910970) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol
PubChem CID16910970
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(C)c(Nc2nc(N3CCN(CCO)CC3)nc3nccnc23)c1
InChIInChI=1S/C20H25N7O/c1-14-3-4-15(2)16(13-14)23-19-17-18(22-6-5-21-17)24-20(25-19)27-9-7-26(8-10-27)11-12-28/h3-6,13,28H,7-12H2,1-2H3,(H,22,23,24,25)
InChIKeyYVXRQOOBZZWUSY-UHFFFAOYSA-N
XLogP1.89
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)pteridin-4-amine
CID 51699978
N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine
CID 16911025
N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
CID 16910730
4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine
CID 16911002
2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
CID 16910992
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820881
2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140604
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888275
4-N-(2,5-dimethylphenyl)-2-N-[(3R)-1,1-dioxothiolan-3-yl]pteridine-2,4-diamine
CID 52904705
N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine
CID 171653777
3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 129146931
N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine
CID 71478220

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol (CID 16910970) is 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol is Cc1ccc(C)c(Nc2nc(N3CCN(CCO)CC3)nc3nccnc23)c1.
What is the InChIKey of 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is YVXRQOOBZZWUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-14-3-4-15(2)16(13-14)23-19-17-18(22-6-5-21-17)24-20(25-19)27-9-7-26(8-10-27)11-12-28/h3-6,13,28H,7-12H2,1-2H3,(H,22,23,24,25).
What are the key properties of 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 379.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 16910970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).