2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol

C17H20N4O — CID 136934525

IUPAC2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol
SMILESOc1ccccc1-c1ncc(N2CCNCC2)c(C2CC2)n1
InChIInChI=1S/C17H20N4O/c22-15-4-2-1-3-13(15)17-19-11-14(16(20-17)12-5-6-12)21-9-7-18-8-10-21/h1-4,11-12,18,22H,5-10H2
InChIKeyOVRDSWMYXMVNHC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.14
Rot. Bonds3

About 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol

2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol (PubChem CID 136934525) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol
PubChem CID136934525
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol
SMILESOc1ccccc1-c1ncc(N2CCNCC2)c(C2CC2)n1
InChIInChI=1S/C17H20N4O/c22-15-4-2-1-3-13(15)17-19-11-14(16(20-17)12-5-6-12)21-9-7-18-8-10-21/h1-4,11-12,18,22H,5-10H2
InChIKeyOVRDSWMYXMVNHC-UHFFFAOYSA-N
XLogP2.14
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211492
2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol
CID 136934519
4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
CID 117211621
2-[5-(4-aminopiperidin-1-yl)-4-methylpyrimidin-2-yl]phenol
CID 136934608
2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
CID 136934499
4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
CID 117211662
4-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117211014
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211243
2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide
CID 140866616
2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211903

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol?
The IUPAC name of 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol (CID 136934525) is 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol is Oc1ccccc1-c1ncc(N2CCNCC2)c(C2CC2)n1.
What is the InChIKey of 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol?
The InChIKey is OVRDSWMYXMVNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-15-4-2-1-3-13(15)17-19-11-14(16(20-17)12-5-6-12)21-9-7-18-8-10-21/h1-4,11-12,18,22H,5-10H2.
What are the key properties of 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol?
2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol has a molecular weight of 296.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 136934525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).