N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide

C23H27N7O2 — CID 71800266

IUPACN-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(Nc4ccccn4)nc(C)n3)CC2)c(C)c1
InChIInChI=1S/C23H27N7O2/c1-16-14-18(32-3)7-8-19(16)27-23(31)30-12-10-29(11-13-30)22-15-21(25-17(2)26-22)28-20-6-4-5-9-24-20/h4-9,14-15H,10-13H2,1-3H3,(H,27,31)(H,24,25,26,28)
InChIKeyYTEFPRFDUWZYHT-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.59
Rot. Bonds5

About N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide

N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 71800266) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID71800266
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(Nc4ccccn4)nc(C)n3)CC2)c(C)c1
InChIInChI=1S/C23H27N7O2/c1-16-14-18(32-3)7-8-19(16)27-23(31)30-12-10-29(11-13-30)22-15-21(25-17(2)26-22)28-20-6-4-5-9-24-20/h4-9,14-15H,10-13H2,1-3H3,(H,27,31)(H,24,25,26,28)
InChIKeyYTEFPRFDUWZYHT-UHFFFAOYSA-N
XLogP3.59
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122349864
N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348977
N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001201
(2-bromophenyl)-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350122
(E)-1-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 122349906
2-cyclopentyl-1-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349902
[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122349768
N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50947804
N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350226
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
1,3-benzodioxol-5-yl-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349769

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide (CID 71800266) is N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cc(Nc4ccccn4)nc(C)n3)CC2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is YTEFPRFDUWZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-16-14-18(32-3)7-8-19(16)27-23(31)30-12-10-29(11-13-30)22-15-21(25-17(2)26-22)28-20-6-4-5-9-24-20/h4-9,14-15H,10-13H2,1-3H3,(H,27,31)(H,24,25,26,28).
What are the key properties of N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71800266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).