4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine

C14H18N6 — CID 59777241

IUPAC4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESNc1nc(Cc2ccncc2)cc(N2CCNCC2)n1
InChIInChI=1S/C14H18N6/c15-14-18-12(9-11-1-3-16-4-2-11)10-13(19-14)20-7-5-17-6-8-20/h1-4,10,17H,5-9H2,(H2,15,18,19)
InChIKeyUTXWSZIZPAAWGE-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.45
Rot. Bonds3

About 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine

4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 59777241) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID59777241
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESNc1nc(Cc2ccncc2)cc(N2CCNCC2)n1
InChIInChI=1S/C14H18N6/c15-14-18-12(9-11-1-3-16-4-2-11)10-13(19-14)20-7-5-17-6-8-20/h1-4,10,17H,5-9H2,(H2,15,18,19)
InChIKeyUTXWSZIZPAAWGE-UHFFFAOYSA-N
XLogP0.45
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 24996534
6-piperazin-1-ylpyrimidine-2,4-diamine
CID 21363888
4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 59777251
2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid
CID 165494645
4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 141328072
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 91475339
4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine
CID 68543502
4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine
CID 157251381
2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile
CID 58229726
2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
CID 56766948
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 42623653
4-piperidin-1-yl-6-propylpyrimidin-2-amine
CID 172740401

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 59777241) is 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine is Nc1nc(Cc2ccncc2)cc(N2CCNCC2)n1.
What is the InChIKey of 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is UTXWSZIZPAAWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c15-14-18-12(9-11-1-3-16-4-2-11)10-13(19-14)20-7-5-17-6-8-20/h1-4,10,17H,5-9H2,(H2,15,18,19).
What are the key properties of 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine?
4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 59777241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).