5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine

C16H24N6 — CID 72883353

IUPAC5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCC(Cn2cc(C)cn2)CC1
InChIInChI=1S/C16H24N6/c1-3-14-9-18-16(17)20-15(14)21-6-4-13(5-7-21)11-22-10-12(2)8-19-22/h8-10,13H,3-7,11H2,1-2H3,(H2,17,18,20)
InChIKeyAEBMCJRCUDLYSY-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.04
Rot. Bonds4

About 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine

5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 72883353) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID72883353
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCC(Cn2cc(C)cn2)CC1
InChIInChI=1S/C16H24N6/c1-3-14-9-18-16(17)20-15(14)21-6-4-13(5-7-21)11-22-10-12(2)8-19-22/h8-10,13H,3-7,11H2,1-2H3,(H2,17,18,20)
InChIKeyAEBMCJRCUDLYSY-UHFFFAOYSA-N
XLogP2.04
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 72856835
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 72870635
2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 137341679
[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80757639
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80800020
1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 72838612
2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80806378
1-(2-amino-5-ethylpyrimidin-4-yl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 137343270
1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 118771293
[1-(2-aminoethyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70785601

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine (CID 72883353) is 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine is CCc1cnc(N)nc1N1CCC(Cn2cc(C)cn2)CC1.
What is the InChIKey of 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is AEBMCJRCUDLYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-3-14-9-18-16(17)20-15(14)21-6-4-13(5-7-21)11-22-10-12(2)8-19-22/h8-10,13H,3-7,11H2,1-2H3,(H2,17,18,20).
What are the key properties of 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine?
5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72883353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).