5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine

C17H26N6O — CID 75439288

IUPAC5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1ncnc(N)c1CN1CCC(Cn2nc(C)cc2C)CC1
InChIInChI=1S/C17H26N6O/c1-12-8-13(2)23(21-12)9-14-4-6-22(7-5-14)10-15-16(18)19-11-20-17(15)24-3/h8,11,14H,4-7,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyAGYRJULMOWHKPJ-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.79
Rot. Bonds5

About 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine

5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine (PubChem CID 75439288) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine
PubChem CID75439288
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1ncnc(N)c1CN1CCC(Cn2nc(C)cc2C)CC1
InChIInChI=1S/C17H26N6O/c1-12-8-13(2)23(21-12)9-14-4-6-22(7-5-14)10-15-16(18)19-11-20-17(15)24-3/h8,11,14H,4-7,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyAGYRJULMOWHKPJ-UHFFFAOYSA-N
XLogP1.79
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine with MolForge

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Related Compounds

4-[3-(5-Methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
CID 166635102
4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 51104275
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 50980960
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 51105076
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 51105077
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 51105138
4,6-dimethoxy-N-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propyl]pyrimidin-2-amine
CID 132411401
2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 135279658
4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 129402936
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine
CID 137339562
4-(4-{[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperazin-1-yl)-6-methoxypyrimidine
CID 168057480
N-(1-{[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-3-yl)-6-methoxy-N-methylpyrimidin-4-amine
CID 171996216

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine (CID 75439288) is 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine is COc1ncnc(N)c1CN1CCC(Cn2nc(C)cc2C)CC1.
What is the InChIKey of 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is AGYRJULMOWHKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12-8-13(2)23(21-12)9-14-4-6-22(7-5-14)10-15-16(18)19-11-20-17(15)24-3/h8,11,14H,4-7,9-10H2,1-3H3,(H2,18,19,20).
What are the key properties of 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine?
5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 75439288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).