3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

C12H19N3O — CID 66006560

IUPAC3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)c1cc(NCC2CC(O)C2)ncn1
InChIInChI=1S/C12H19N3O/c1-8(2)11-5-12(15-7-14-11)13-6-9-3-10(16)4-9/h5,7-10,16H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyLBTLQPFWHNUKOT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds4

About 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 66006560) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
PubChem CID66006560
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)c1cc(NCC2CC(O)C2)ncn1
InChIInChI=1S/C12H19N3O/c1-8(2)11-5-12(15-7-14-11)13-6-9-3-10(16)4-9/h5,7-10,16H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyLBTLQPFWHNUKOT-UHFFFAOYSA-N
XLogP1.78
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol 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 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (CID 66006560) is 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is CC(C)c1cc(NCC2CC(O)C2)ncn1.
What is the InChIKey of 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is LBTLQPFWHNUKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)11-5-12(15-7-14-11)13-6-9-3-10(16)4-9/h5,7-10,16H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66006560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).