4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine

C19H25N9 — CID 72910549

IUPAC4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)nc(N)n1
InChIInChI=1S/C19H25N9/c1-13-10-16(23-19(20)22-13)27-7-4-14(5-8-27)18-25-24-17(28(18)15-2-3-15)11-26-9-6-21-12-26/h6,9-10,12,14-15H,2-5,7-8,11H2,1H3,(H2,20,22,23)
InChIKeyBGYCLDFRBODLCU-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.92
Rot. Bonds5

About 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine

4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 72910549) has the molecular formula C19H25N9 and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID72910549
Molecular FormulaC19H25N9
Molecular Weight379.47 g/mol
Exact Mass379.22
IUPAC Name4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)nc(N)n1
InChIInChI=1S/C19H25N9/c1-13-10-16(23-19(20)22-13)27-7-4-14(5-8-27)18-25-24-17(28(18)15-2-3-15)11-26-9-6-21-12-26/h6,9-10,12,14-15H,2-5,7-8,11H2,1H3,(H2,20,22,23)
InChIKeyBGYCLDFRBODLCU-UHFFFAOYSA-N
XLogP1.92
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine with MolForge

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Related Compounds

4-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 72879860
4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine
CID 72914185
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylsulfonylpiperidine
CID 72868615
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropyl)piperidine
CID 72912276
2-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-fluoropyridine
CID 72868380
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 72890876
propan-2-yl 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72846818
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 72885815
[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 72850320
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70747237
6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70775845

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine (CID 72910549) is 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)nc(N)n1.
What is the InChIKey of 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is BGYCLDFRBODLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9/c1-13-10-16(23-19(20)22-13)27-7-4-14(5-8-27)18-25-24-17(28(18)15-2-3-15)11-26-9-6-21-12-26/h6,9-10,12,14-15H,2-5,7-8,11H2,1H3,(H2,20,22,23).
What are the key properties of 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 379.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 72910549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).