4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine

C17H27N7O — CID 50952913

IUPAC4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCN(CCCn3nc(C)cc3C)CC2)nc(N)n1
InChIInChI=1S/C17H27N7O/c1-13-11-14(2)24(21-13)6-4-5-22-7-9-23(10-8-22)15-12-16(25-3)20-17(18)19-15/h11-12H,4-10H2,1-3H3,(H2,18,19,20)
InChIKeyZNCFNTJGJKRPNA-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.09
Rot. Bonds6

About 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine

4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine (PubChem CID 50952913) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine
PubChem CID50952913
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCN(CCCn3nc(C)cc3C)CC2)nc(N)n1
InChIInChI=1S/C17H27N7O/c1-13-11-14(2)24(21-13)6-4-5-22-7-9-23(10-8-22)15-12-16(25-3)20-17(18)19-15/h11-12H,4-10H2,1-3H3,(H2,18,19,20)
InChIKeyZNCFNTJGJKRPNA-UHFFFAOYSA-N
XLogP1.09
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine (CID 50952913) is 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine is COc1cc(N2CCN(CCCn3nc(C)cc3C)CC2)nc(N)n1.
What is the InChIKey of 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine?
The InChIKey is ZNCFNTJGJKRPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-13-11-14(2)24(21-13)6-4-5-22-7-9-23(10-8-22)15-12-16(25-3)20-17(18)19-15/h11-12H,4-10H2,1-3H3,(H2,18,19,20).
What are the key properties of 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine?
4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine has a molecular weight of 345.45 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazin-1-yl]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 50952913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).