2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol

C18H25N5O2 — CID 22540705

IUPAC2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1cc(C)cc(Oc2ncnc(N3CCN(CCO)CC3)c2N)c1
InChIInChI=1S/C18H25N5O2/c1-13-9-14(2)11-15(10-13)25-18-16(19)17(20-12-21-18)23-5-3-22(4-6-23)7-8-24/h9-12,24H,3-8,19H2,1-2H3
InChIKeyOXZMXILQOVSZEA-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.58
Rot. Bonds5

About 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 22540705) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID22540705
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1cc(C)cc(Oc2ncnc(N3CCN(CCO)CC3)c2N)c1
InChIInChI=1S/C18H25N5O2/c1-13-9-14(2)11-15(10-13)25-18-16(19)17(20-12-21-18)23-5-3-22(4-6-23)7-8-24/h9-12,24H,3-8,19H2,1-2H3
InChIKeyOXZMXILQOVSZEA-UHFFFAOYSA-N
XLogP1.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 22540705) is 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol is Cc1cc(C)cc(Oc2ncnc(N3CCN(CCO)CC3)c2N)c1.
What is the InChIKey of 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is OXZMXILQOVSZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-9-14(2)11-15(10-13)25-18-16(19)17(20-12-21-18)23-5-3-22(4-6-23)7-8-24/h9-12,24H,3-8,19H2,1-2H3.
What are the key properties of 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 343.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 22540705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).