4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine

C16H21N5 — CID 80756967

IUPAC4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21N5/c1-13-11-18-16(17)19-15(13)21-9-7-20(8-10-21)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,17,18,19)
InChIKeyGIJDOOOPDIQBJV-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.69
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine

4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine (PubChem CID 80756967) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
PubChem CID80756967
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21N5/c1-13-11-18-16(17)19-15(13)21-9-7-20(8-10-21)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,17,18,19)
InChIKeyGIJDOOOPDIQBJV-UHFFFAOYSA-N
XLogP1.69
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80800020
5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
CID 83970332
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136894
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80844331

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine (CID 80756967) is 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine?
The InChIKey is GIJDOOOPDIQBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-13-11-18-16(17)19-15(13)21-9-7-20(8-10-21)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,17,18,19).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine?
4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80756967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).