1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine

C18H28N6O — CID 72915073

IUPAC1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine
SMILESCCc1cnc(C)nc1N1CCC(NCc2cc(COC)[nH]n2)CC1
InChIInChI=1S/C18H28N6O/c1-4-14-10-19-13(2)21-18(14)24-7-5-15(6-8-24)20-11-16-9-17(12-25-3)23-22-16/h9-10,15,20H,4-8,11-12H2,1-3H3,(H,22,23)
InChIKeyNBXHBPZOXIQJSO-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.98
Rot. Bonds7

About 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine

1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine (PubChem CID 72915073) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine
PubChem CID72915073
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine
SMILESCCc1cnc(C)nc1N1CCC(NCc2cc(COC)[nH]n2)CC1
InChIInChI=1S/C18H28N6O/c1-4-14-10-19-13(2)21-18(14)24-7-5-15(6-8-24)20-11-16-9-17(12-25-3)23-22-16/h9-10,15,20H,4-8,11-12H2,1-3H3,(H,22,23)
InChIKeyNBXHBPZOXIQJSO-UHFFFAOYSA-N
XLogP1.98
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

CID 72873636
CID 72873636
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 72922967
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110112074
2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
CID 110269334
5-(1-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazol-4-yl)pyrimidine
CID 72847615
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 50959698
4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 50973199
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72937346
2-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 166132289
(2S)-1-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
CID 166132291
3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine
CID 166132330
(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
CID 166132377

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine (CID 72915073) is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine is CCc1cnc(C)nc1N1CCC(NCc2cc(COC)[nH]n2)CC1.
What is the InChIKey of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine?
The InChIKey is NBXHBPZOXIQJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-14-10-19-13(2)21-18(14)24-7-5-15(6-8-24)20-11-16-9-17(12-25-3)23-22-16/h9-10,15,20H,4-8,11-12H2,1-3H3,(H,22,23).
What are the key properties of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine?
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 72915073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).