1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea

C20H24N8O — CID 56754329

IUPAC1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccnn1C1CCN(c2ccnc(N)n2)CC1
InChIInChI=1S/C20H24N8O/c1-14-4-2-3-5-16(14)24-20(29)26-18-7-11-23-28(18)15-8-12-27(13-9-15)17-6-10-22-19(21)25-17/h2-7,10-11,15H,8-9,12-13H2,1H3,(H2,21,22,25)(H2,24,26,29)
InChIKeyRMGRJSBOGXWDRB-UHFFFAOYSA-N
MW392.47 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea

1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea (PubChem CID 56754329) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
PubChem CID56754329
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccnn1C1CCN(c2ccnc(N)n2)CC1
InChIInChI=1S/C20H24N8O/c1-14-4-2-3-5-16(14)24-20(29)26-18-7-11-23-28(18)15-8-12-27(13-9-15)17-6-10-22-19(21)25-17/h2-7,10-11,15H,8-9,12-13H2,1H3,(H2,21,22,25)(H2,24,26,29)
InChIKeyRMGRJSBOGXWDRB-UHFFFAOYSA-N
XLogP3.05
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 25370807
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CID 126461088
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CID 56744087
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CID 56747961
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CID 25298239
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CID 56756469
1-(2-methoxyphenyl)-3-[2-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26336058
1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26396065
4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 26327836
1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea (CID 56754329) is 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(c2ccnc(N)n2)CC1.
What is the InChIKey of 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea?
The InChIKey is RMGRJSBOGXWDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-14-4-2-3-5-16(14)24-20(29)26-18-7-11-23-28(18)15-8-12-27(13-9-15)17-6-10-22-19(21)25-17/h2-7,10-11,15H,8-9,12-13H2,1H3,(H2,21,22,25)(H2,24,26,29).
What are the key properties of 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea?
1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea has a molecular weight of 392.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 56754329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).