2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol

C11H19N5O2 — CID 113268082

IUPAC2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCOc1cc(N2CCN(CCO)CC2)nc(N)n1
InChIInChI=1S/C11H19N5O2/c1-18-10-8-9(13-11(12)14-10)16-4-2-15(3-5-16)6-7-17/h8,17H,2-7H2,1H3,(H2,12,13,14)
InChIKeyNVTBWIUBCYBQIG-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.82
Rot. Bonds4

About 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 113268082) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID113268082
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCOc1cc(N2CCN(CCO)CC2)nc(N)n1
InChIInChI=1S/C11H19N5O2/c1-18-10-8-9(13-11(12)14-10)16-4-2-15(3-5-16)6-7-17/h8,17H,2-7H2,1H3,(H2,12,13,14)
InChIKeyNVTBWIUBCYBQIG-UHFFFAOYSA-N
XLogP-0.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanol
CID 107226786
2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 146132286
2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 83265901
4-methoxy-6-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 146044412
2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 102717512
4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine
CID 155498675
5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 50966673
2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80778474
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80780137
2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol
CID 43501326
ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 144625270
7-(2-amino-6-methoxypyrimidin-4-yl)-2,3-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 50955433

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol (CID 113268082) is 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol is COc1cc(N2CCN(CCO)CC2)nc(N)n1.
What is the InChIKey of 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is NVTBWIUBCYBQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-18-10-8-9(13-11(12)14-10)16-4-2-15(3-5-16)6-7-17/h8,17H,2-7H2,1H3,(H2,12,13,14).
What are the key properties of 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 253.31 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 113268082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).