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

C19H30N6 — CID 56705332

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCCn1nc(C)c(C(C)Nc2cc(C3CCNCC3)nc(C)n2)c1C
InChIInChI=1S/C19H30N6/c1-6-25-14(4)19(13(3)24-25)12(2)21-18-11-17(22-15(5)23-18)16-7-9-20-10-8-16/h11-12,16,20H,6-10H2,1-5H3,(H,21,22,23)
InChIKeyQYTSWYZUDQKVQP-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.26
Rot. Bonds5

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

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 56705332) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID56705332
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCCn1nc(C)c(C(C)Nc2cc(C3CCNCC3)nc(C)n2)c1C
InChIInChI=1S/C19H30N6/c1-6-25-14(4)19(13(3)24-25)12(2)21-18-11-17(22-15(5)23-18)16-7-9-20-10-8-16/h11-12,16,20H,6-10H2,1-5H3,(H,21,22,23)
InChIKeyQYTSWYZUDQKVQP-UHFFFAOYSA-N
XLogP3.26
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (CID 56705332) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is CCn1nc(C)c(C(C)Nc2cc(C3CCNCC3)nc(C)n2)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is QYTSWYZUDQKVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-6-25-14(4)19(13(3)24-25)12(2)21-18-11-17(22-15(5)23-18)16-7-9-20-10-8-16/h11-12,16,20H,6-10H2,1-5H3,(H,21,22,23).
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56705332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).