pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine

C19H28BN5O2 — CID 158809388

IUPACpyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
SMILESCC1(C)OB(c2ccc(N3CCNCC3)nc2)OC1(C)C.c1cncnc1
InChIInChI=1S/C15H24BN3O2.C4H4N2/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19;1-2-5-4-6-3-1/h5-6,11,17H,7-10H2,1-4H3;1-4H
InChIKeyIUMGTZSHGJNSNR-UHFFFAOYSA-N
MW369.28 g/mol
LogP1.27
Rot. Bonds2

About pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine

pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine (PubChem CID 158809388) has the molecular formula C19H28BN5O2 and a molecular weight of 369.28 g/mol. Its IUPAC name is pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Namepyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
PubChem CID158809388
Molecular FormulaC19H28BN5O2
Molecular Weight369.28 g/mol
Exact Mass369.23
IUPAC Namepyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
SMILESCC1(C)OB(c2ccc(N3CCNCC3)nc2)OC1(C)C.c1cncnc1
InChIInChI=1S/C15H24BN3O2.C4H4N2/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19;1-2-5-4-6-3-1/h5-6,11,17H,7-10H2,1-4H3;1-4H
InChIKeyIUMGTZSHGJNSNR-UHFFFAOYSA-N
XLogP1.27
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methylpiperazin-1-yl)-5-pyridin-3-ylpyrimidine
CID 3234448
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine
CID 3234580
N''-cyano-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)isonicotinamidine
CID 46889214
4-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112885082
4-N-butyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 145990474
4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 162660041
4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
CID 162673223
1-[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 53341525
1-[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 53341564
2-(Piperazin-1-yl)pyridine-5-boronic acid, pinacol ester
CID 16217946
N-butyl-4-piperazin-1-yl-5-pyridin-2-ylpyrimidin-2-amine
CID 72793044
(5S)-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 138595622

Frequently Asked Questions

What is the IUPAC name of pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?
The IUPAC name of pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine (CID 158809388) is pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine.
What is the SMILES notation for pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?
The canonical SMILES for pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine is CC1(C)OB(c2ccc(N3CCNCC3)nc2)OC1(C)C.c1cncnc1.
What is the InChIKey of pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?
The InChIKey is IUMGTZSHGJNSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BN3O2.C4H4N2/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19;1-2-5-4-6-3-1/h5-6,11,17H,7-10H2,1-4H3;1-4H.
What are the key properties of pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?
pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine has a molecular weight of 369.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine is sourced from PubChem (CID 158809388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).