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

C19H28N8 — CID 70775845

IUPAC6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ncn1
InChIInChI=1S/C19H28N8/c20-16-11-17(22-13-21-16)26-9-5-14(6-10-26)19-24-23-18(27(19)15-3-4-15)12-25-7-1-2-8-25/h11,13-15H,1-10,12H2,(H2,20,21,22)
InChIKeyXDGSKDWHSXFFQQ-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.97
Rot. Bonds5

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

6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 70775845) has the molecular formula C19H28N8 and a molecular weight of 368.49 g/mol. Its IUPAC name is 6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID70775845
Molecular FormulaC19H28N8
Molecular Weight368.49 g/mol
Exact Mass368.24
IUPAC Name6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ncn1
InChIInChI=1S/C19H28N8/c20-16-11-17(22-13-21-16)26-9-5-14(6-10-26)19-24-23-18(27(19)15-3-4-15)12-25-7-1-2-8-25/h11,13-15H,1-10,12H2,(H2,20,21,22)
InChIKeyXDGSKDWHSXFFQQ-UHFFFAOYSA-N
XLogP1.97
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (CID 70775845) is 6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ncn1.
What is the InChIKey of 6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is XDGSKDWHSXFFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8/c20-16-11-17(22-13-21-16)26-9-5-14(6-10-26)19-24-23-18(27(19)15-3-4-15)12-25-7-1-2-8-25/h11,13-15H,1-10,12H2,(H2,20,21,22).
What are the key properties of 6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 368.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 70775845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).