4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine

C17H28N8O — CID 91774376

IUPAC4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(NC2CC(c3nnc(CN(C)C)n3C)C2)nc(N)n1
InChIInChI=1S/C17H28N8O/c1-10(2)26-15-8-13(20-17(18)21-15)19-12-6-11(7-12)16-23-22-14(25(16)5)9-24(3)4/h8,10-12H,6-7,9H2,1-5H3,(H3,18,19,20,21)
InChIKeyWBNDKLZVOVHDCD-UHFFFAOYSA-N
MW360.47 g/mol
LogP1.39
Rot. Bonds7

About 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine

4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine (PubChem CID 91774376) has the molecular formula C17H28N8O and a molecular weight of 360.47 g/mol. Its IUPAC name is 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine
PubChem CID91774376
Molecular FormulaC17H28N8O
Molecular Weight360.47 g/mol
Exact Mass360.24
IUPAC Name4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(NC2CC(c3nnc(CN(C)C)n3C)C2)nc(N)n1
InChIInChI=1S/C17H28N8O/c1-10(2)26-15-8-13(20-17(18)21-15)19-12-6-11(7-12)16-23-22-14(25(16)5)9-24(3)4/h8,10-12H,6-7,9H2,1-5H3,(H3,18,19,20,21)
InChIKeyWBNDKLZVOVHDCD-UHFFFAOYSA-N
XLogP1.39
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine 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 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine (CID 91774376) is 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine is CC(C)Oc1cc(NC2CC(c3nnc(CN(C)C)n3C)C2)nc(N)n1.
What is the InChIKey of 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
The InChIKey is WBNDKLZVOVHDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8O/c1-10(2)26-15-8-13(20-17(18)21-15)19-12-6-11(7-12)16-23-22-14(25(16)5)9-24(3)4/h8,10-12H,6-7,9H2,1-5H3,(H3,18,19,20,21).
What are the key properties of 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine?
4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine has a molecular weight of 360.47 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-6-propan-2-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 91774376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).