2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol

C15H18N4O — CID 117224423

IUPAC2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol
SMILESOc1ccccc1Cc1ccnc(N2CCNCC2)n1
InChIInChI=1S/C15H18N4O/c20-14-4-2-1-3-12(14)11-13-5-6-17-15(18-13)19-9-7-16-8-10-19/h1-6,16,20H,7-11H2
InChIKeyAZSCWQPPSUXPSE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.18
Rot. Bonds3

About 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol

2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol (PubChem CID 117224423) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol
PubChem CID117224423
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol
SMILESOc1ccccc1Cc1ccnc(N2CCNCC2)n1
InChIInChI=1S/C15H18N4O/c20-14-4-2-1-3-12(14)11-13-5-6-17-15(18-13)19-9-7-16-8-10-19/h1-6,16,20H,7-11H2
InChIKeyAZSCWQPPSUXPSE-UHFFFAOYSA-N
XLogP1.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
2,4-Bisanilinopyrimidine, 27
CID 44224083
2-(1H-imidazol-4-yl)phenol
CID 10307884
4-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 764635
3-(2-Morpholinopyrimidin-4-yl)phenol
CID 16049526
3-[[3-(6-Amino-2-methyl-4-pyrimidinyl)-2-pyridinyl]amino]phenol
CID 49785253

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol?
The IUPAC name of 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol (CID 117224423) is 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol.
What is the SMILES notation for 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol?
The canonical SMILES for 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol is Oc1ccccc1Cc1ccnc(N2CCNCC2)n1.
What is the InChIKey of 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol?
The InChIKey is AZSCWQPPSUXPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-14-4-2-1-3-12(14)11-13-5-6-17-15(18-13)19-9-7-16-8-10-19/h1-6,16,20H,7-11H2.
What are the key properties of 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol?
2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol has a molecular weight of 270.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperazin-1-ylpyrimidin-4-yl)methyl]phenol is sourced from PubChem (CID 117224423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).