1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine

C19H29N5S — CID 72914633

IUPAC1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine
SMILESCCc1cnc(C)nc1N1CCC(NCCCc2nc(C)cs2)CC1
InChIInChI=1S/C19H29N5S/c1-4-16-12-21-15(3)23-19(16)24-10-7-17(8-11-24)20-9-5-6-18-22-14(2)13-25-18/h12-13,17,20H,4-11H2,1-3H3
InChIKeyNXNZBTFKWUWBCS-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.30
Rot. Bonds7

About 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine

1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine (PubChem CID 72914633) has the molecular formula C19H29N5S and a molecular weight of 359.54 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine
PubChem CID72914633
Molecular FormulaC19H29N5S
Molecular Weight359.54 g/mol
Exact Mass359.21
IUPAC Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine
SMILESCCc1cnc(C)nc1N1CCC(NCCCc2nc(C)cs2)CC1
InChIInChI=1S/C19H29N5S/c1-4-16-12-21-15(3)23-19(16)24-10-7-17(8-11-24)20-9-5-6-18-22-14(2)13-25-18/h12-13,17,20H,4-11H2,1-3H3
InChIKeyNXNZBTFKWUWBCS-UHFFFAOYSA-N
XLogP3.30
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine?
The IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine (CID 72914633) is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine?
The canonical SMILES for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine is CCc1cnc(C)nc1N1CCC(NCCCc2nc(C)cs2)CC1.
What is the InChIKey of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine?
The InChIKey is NXNZBTFKWUWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5S/c1-4-16-12-21-15(3)23-19(16)24-10-7-17(8-11-24)20-9-5-6-18-22-14(2)13-25-18/h12-13,17,20H,4-11H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine?
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine has a molecular weight of 359.54 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 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-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 72914633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).