4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine

C21H23N5 — CID 25129879

IUPAC4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)CC1
InChIInChI=1S/C21H23N5/c1-25-11-13-26(14-12-25)20-15-19(23-21(22)24-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H2,22,23,24)
InChIKeyKZJSSAADNSXNJA-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.14
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine (PubChem CID 25129879) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
PubChem CID25129879
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)CC1
InChIInChI=1S/C21H23N5/c1-25-11-13-26(14-12-25)20-15-19(23-21(22)24-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H2,22,23,24)
InChIKeyKZJSSAADNSXNJA-UHFFFAOYSA-N
XLogP3.14
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine (CID 25129879) is 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine is CN1CCN(c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The InChIKey is KZJSSAADNSXNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-25-11-13-26(14-12-25)20-15-19(23-21(22)24-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H2,22,23,24).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine has a molecular weight of 345.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 25129879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).