[4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone

C26H27N7OS — CID 155901358

IUPAC[4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
SMILESCN(CCc1ccccc1)c1nccc(N2CCN(C(=O)c3csc(-c4cccnc4)n3)CC2)n1
InChIInChI=1S/C26H27N7OS/c1-31(13-10-20-6-3-2-4-7-20)26-28-12-9-23(30-26)32-14-16-33(17-15-32)25(34)22-19-35-24(29-22)21-8-5-11-27-18-21/h2-9,11-12,18-19H,10,13-17H2,1H3
InChIKeyZDMPVUUOEOZGPV-UHFFFAOYSA-N
MW485.62 g/mol
LogP3.64
Rot. Bonds7

About [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone

[4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 155901358) has the molecular formula C26H27N7OS and a molecular weight of 485.62 g/mol. Its IUPAC name is [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID155901358
Molecular FormulaC26H27N7OS
Molecular Weight485.62 g/mol
Exact Mass485.20
IUPAC Name[4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
SMILESCN(CCc1ccccc1)c1nccc(N2CCN(C(=O)c3csc(-c4cccnc4)n3)CC2)n1
InChIInChI=1S/C26H27N7OS/c1-31(13-10-20-6-3-2-4-7-20)26-28-12-9-23(30-26)32-14-16-33(17-15-32)25(34)22-19-35-24(29-22)21-8-5-11-27-18-21/h2-9,11-12,18-19H,10,13-17H2,1H3
InChIKeyZDMPVUUOEOZGPV-UHFFFAOYSA-N
XLogP3.64
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

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Pyrimidine-4-carboxamide, 37
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3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
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2-tert-butyl-N-[[2-methyl-4-[2-(pyridin-2-ylamino)pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
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US20240000767, Example 111
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2-[4-(2-Pyridyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5n)
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4-(5-Phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 2504318
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Frequently Asked Questions

What is the IUPAC name of [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone (CID 155901358) is [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone is CN(CCc1ccccc1)c1nccc(N2CCN(C(=O)c3csc(-c4cccnc4)n3)CC2)n1.
What is the InChIKey of [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is ZDMPVUUOEOZGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7OS/c1-31(13-10-20-6-3-2-4-7-20)26-28-12-9-23(30-26)32-14-16-33(17-15-32)25(34)22-19-35-24(29-22)21-8-5-11-27-18-21/h2-9,11-12,18-19H,10,13-17H2,1H3.
What are the key properties of [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone?
[4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 485.62 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 155901358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).