methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate

C24H36N6O2 — CID 90974154

IUPACmethyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CC(C2CCCCC2)CN(C2=NC(Nc3cc(C4CC4)[nH]n3)CC(C)=N2)C1
InChIInChI=1S/C24H36N6O2/c1-15-10-21(26-22-12-20(28-29-22)17-8-9-17)27-24(25-15)30-13-18(16-6-4-3-5-7-16)11-19(14-30)23(31)32-2/h12,16-19,21H,3-11,13-14H2,1-2H3,(H2,26,28,29)
InChIKeyGPHWURMZEGNHNK-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.94
Rot. Bonds5

About methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate

methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate (PubChem CID 90974154) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate
PubChem CID90974154
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC Namemethyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CC(C2CCCCC2)CN(C2=NC(Nc3cc(C4CC4)[nH]n3)CC(C)=N2)C1
InChIInChI=1S/C24H36N6O2/c1-15-10-21(26-22-12-20(28-29-22)17-8-9-17)27-24(25-15)30-13-18(16-6-4-3-5-7-16)11-19(14-30)23(31)32-2/h12,16-19,21H,3-11,13-14H2,1-2H3,(H2,26,28,29)
InChIKeyGPHWURMZEGNHNK-UHFFFAOYSA-N
XLogP3.94
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate with MolForge

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Related Compounds

(3S,5R)-5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]piperidine-3-carboxylic acid
CID 123519571
N-(5-cycloheptyl-1H-pyrazol-3-yl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167960321
tert-butyl N-[1-[(3R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]ethenyl]carbamate
CID 170133122
(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94796113
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119329584
methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen
CID 160723035
1-[5-[[5-chloro-2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 118390098
[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone
CID 167762565
N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methylpyridine-3-carboxamide
CID 174055179
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 71970941
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylate
CID 165002851

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate?
The IUPAC name of methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate (CID 90974154) is methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate?
The canonical SMILES for methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate is COC(=O)C1CC(C2CCCCC2)CN(C2=NC(Nc3cc(C4CC4)[nH]n3)CC(C)=N2)C1.
What is the InChIKey of methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate?
The InChIKey is GPHWURMZEGNHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c1-15-10-21(26-22-12-20(28-29-22)17-8-9-17)27-24(25-15)30-13-18(16-6-4-3-5-7-16)11-19(14-30)23(31)32-2/h12,16-19,21H,3-11,13-14H2,1-2H3,(H2,26,28,29).
What are the key properties of methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate?
methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate has a molecular weight of 440.59 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclohexyl-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-4,5-dihydropyrimidin-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 90974154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).