4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine

C19H31N7 — CID 72853841

IUPAC4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine
SMILESCCc1cc(N2CCC(NCc3cc(C)nn3C)CC2)nc(N(C)C)n1
InChIInChI=1S/C19H31N7/c1-6-15-12-18(22-19(21-15)24(3)4)26-9-7-16(8-10-26)20-13-17-11-14(2)23-25(17)5/h11-12,16,20H,6-10,13H2,1-5H3
InChIKeyDFLSWASONHAEJD-UHFFFAOYSA-N
MW357.51 g/mol
LogP1.91
Rot. Bonds6

About 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine

4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine (PubChem CID 72853841) has the molecular formula C19H31N7 and a molecular weight of 357.51 g/mol. Its IUPAC name is 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine
PubChem CID72853841
Molecular FormulaC19H31N7
Molecular Weight357.51 g/mol
Exact Mass357.26
IUPAC Name4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine
SMILESCCc1cc(N2CCC(NCc3cc(C)nn3C)CC2)nc(N(C)C)n1
InChIInChI=1S/C19H31N7/c1-6-15-12-18(22-19(21-15)24(3)4)26-9-7-16(8-10-26)20-13-17-11-14(2)23-25(17)5/h11-12,16,20H,6-10,13H2,1-5H3
InChIKeyDFLSWASONHAEJD-UHFFFAOYSA-N
XLogP1.91
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine (CID 72853841) is 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine is CCc1cc(N2CCC(NCc3cc(C)nn3C)CC2)nc(N(C)C)n1.
What is the InChIKey of 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine?
The InChIKey is DFLSWASONHAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7/c1-6-15-12-18(22-19(21-15)24(3)4)26-9-7-16(8-10-26)20-13-17-11-14(2)23-25(17)5/h11-12,16,20H,6-10,13H2,1-5H3.
What are the key properties of 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine?
4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine has a molecular weight of 357.51 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]-6-ethyl-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 72853841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).