4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide

C28H29N7O — CID 46231495

IUPAC4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C28H29N7O/c1-21(20-34-15-17-35(18-16-34)28-29-13-8-14-30-28)31-27(36)26-32-24(22-9-4-2-5-10-22)19-25(33-26)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,36)
InChIKeyWEEIYDPFNLRICS-UHFFFAOYSA-N
MW479.59 g/mol
LogP3.54
Rot. Bonds7

About 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide

4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide (PubChem CID 46231495) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide
PubChem CID46231495
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC Name4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C28H29N7O/c1-21(20-34-15-17-35(18-16-34)28-29-13-8-14-30-28)31-27(36)26-32-24(22-9-4-2-5-10-22)19-25(33-26)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,36)
InChIKeyWEEIYDPFNLRICS-UHFFFAOYSA-N
XLogP3.54
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide (CID 46231495) is 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide is CC(CN1CCN(c2ncccn2)CC1)NC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide?
The InChIKey is WEEIYDPFNLRICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-21(20-34-15-17-35(18-16-34)28-29-13-8-14-30-28)31-27(36)26-32-24(22-9-4-2-5-10-22)19-25(33-26)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,36).
What are the key properties of 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide?
4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide has a molecular weight of 479.59 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 46231495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).