1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea

C17H25N7O — CID 84585882

IUPAC1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cn1
InChIInChI=1S/C17H25N7O/c1-4-24-11-15(10-18-24)22-17(25)21-14-5-7-23(8-6-14)16-9-12(2)19-13(3)20-16/h9-11,14H,4-8H2,1-3H3,(H2,21,22,25)
InChIKeyCAICHZJUYVVEND-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.10
Rot. Bonds4

About 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 84585882) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea
PubChem CID84585882
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cn1
InChIInChI=1S/C17H25N7O/c1-4-24-11-15(10-18-24)22-17(25)21-14-5-7-23(8-6-14)16-9-12(2)19-13(3)20-16/h9-11,14H,4-8H2,1-3H3,(H2,21,22,25)
InChIKeyCAICHZJUYVVEND-UHFFFAOYSA-N
XLogP2.10
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
1-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]urea
CID 167856636
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 126787318
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 126778638
2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119897662
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 136580514
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea (CID 84585882) is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea is CCn1cc(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cn1.
What is the InChIKey of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is CAICHZJUYVVEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-4-24-11-15(10-18-24)22-17(25)21-14-5-7-23(8-6-14)16-9-12(2)19-13(3)20-16/h9-11,14H,4-8H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea?
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 343.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 84585882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).