2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol

C10H18N6O — CID 19137084

IUPAC2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESNc1ncnc(N2CCN(CCO)CC2)c1N
InChIInChI=1S/C10H18N6O/c11-8-9(12)13-7-14-10(8)16-3-1-15(2-4-16)5-6-17/h7,17H,1-6,11H2,(H2,12,13,14)
InChIKeySLKKMQBUGQEPSH-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.24
Rot. Bonds3

About 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 19137084) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID19137084
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESNc1ncnc(N2CCN(CCO)CC2)c1N
InChIInChI=1S/C10H18N6O/c11-8-9(12)13-7-14-10(8)16-3-1-15(2-4-16)5-6-17/h7,17H,1-6,11H2,(H2,12,13,14)
InChIKeySLKKMQBUGQEPSH-UHFFFAOYSA-N
XLogP-1.24
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137446
2-[4-(5-amino-6-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140663
2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226746
2-[4-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140744
2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 22540705
6-piperidin-1-ylpyrimidine-4,5-diamine
CID 786539
2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140705
2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140633
2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140604
2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140732
5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80757172
2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 136551352

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol (CID 19137084) is 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol is Nc1ncnc(N2CCN(CCO)CC2)c1N.
What is the InChIKey of 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is SLKKMQBUGQEPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c11-8-9(12)13-7-14-10(8)16-3-1-15(2-4-16)5-6-17/h7,17H,1-6,11H2,(H2,12,13,14).
What are the key properties of 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 238.29 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 19137084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).