2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol

C18H26N6O — CID 19140604

IUPAC2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(Nc2ncnc(N3CCN(CCO)CC3)c2N)c(C)c1
InChIInChI=1S/C18H26N6O/c1-13-3-4-15(14(2)11-13)22-17-16(19)18(21-12-20-17)24-7-5-23(6-8-24)9-10-25/h3-4,11-12,25H,5-10,19H2,1-2H3,(H,20,21,22)
InChIKeyFCGMUGJGPYZOAL-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.53
Rot. Bonds5

About 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 19140604) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID19140604
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(Nc2ncnc(N3CCN(CCO)CC3)c2N)c(C)c1
InChIInChI=1S/C18H26N6O/c1-13-3-4-15(14(2)11-13)22-17-16(19)18(21-12-20-17)24-7-5-23(6-8-24)9-10-25/h3-4,11-12,25H,5-10,19H2,1-2H3,(H,20,21,22)
InChIKeyFCGMUGJGPYZOAL-UHFFFAOYSA-N
XLogP1.53
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

4-N-(2,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140271
6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 19139421
4-N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22546983
2-[4-(5-amino-6-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140663
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22546979
ethyl 4-[[5-amino-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzoate
CID 19140626
2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140633
2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140732
4-N-(2,4-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19143420
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
CID 19143332
2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137084

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 19140604) is 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol is Cc1ccc(Nc2ncnc(N3CCN(CCO)CC3)c2N)c(C)c1.
What is the InChIKey of 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is FCGMUGJGPYZOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-3-4-15(14(2)11-13)22-17-16(19)18(21-12-20-17)24-7-5-23(6-8-24)9-10-25/h3-4,11-12,25H,5-10,19H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 342.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 19140604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).