N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C21H25N7 — CID 112893045

IUPACN-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-2-26(17-18-7-4-3-5-8-18)21-24-12-9-19(25-21)27-13-15-28(16-14-27)20-22-10-6-11-23-20/h3-12H,2,13-17H2,1H3
InChIKeyWQRQIKKGRMZHQY-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.62
Rot. Bonds6

About N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112893045) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112893045
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-2-26(17-18-7-4-3-5-8-18)21-24-12-9-19(25-21)27-13-15-28(16-14-27)20-22-10-6-11-23-20/h3-12H,2,13-17H2,1H3
InChIKeyWQRQIKKGRMZHQY-UHFFFAOYSA-N
XLogP2.62
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112951722
N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887954
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112946145
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112881555
ethyl 4-[4-[benzyl(ethyl)amino]pyrimidin-2-yl]piperazine-1-carboxylate
CID 112892902
N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 112887960
N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112872203
N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942585
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112893045) is N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine is CCN(Cc1ccccc1)c1nccc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is WQRQIKKGRMZHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-2-26(17-18-7-4-3-5-8-18)21-24-12-9-19(25-21)27-13-15-28(16-14-27)20-22-10-6-11-23-20/h3-12H,2,13-17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112893045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).