3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol

C16H28N4O — CID 102864733

IUPAC3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol
SMILESCC(C)(C)NCc1cnc(N(CCCO)C2CCC2)nc1
InChIInChI=1S/C16H28N4O/c1-16(2,3)19-12-13-10-17-15(18-11-13)20(8-5-9-21)14-6-4-7-14/h10-11,14,19,21H,4-9,12H2,1-3H3
InChIKeyRZPJRMPRKQUCSC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds7

About 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol

3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol (PubChem CID 102864733) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol
PubChem CID102864733
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol
SMILESCC(C)(C)NCc1cnc(N(CCCO)C2CCC2)nc1
InChIInChI=1S/C16H28N4O/c1-16(2,3)19-12-13-10-17-15(18-11-13)20(8-5-9-21)14-6-4-7-14/h10-11,14,19,21H,4-9,12H2,1-3H3
InChIKeyRZPJRMPRKQUCSC-UHFFFAOYSA-N
XLogP2.11
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-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-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol (CID 102864733) is 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol is CC(C)(C)NCc1cnc(N(CCCO)C2CCC2)nc1.
What is the InChIKey of 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol?
The InChIKey is RZPJRMPRKQUCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)19-12-13-10-17-15(18-11-13)20(8-5-9-21)14-6-4-7-14/h10-11,14,19,21H,4-9,12H2,1-3H3.
What are the key properties of 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol?
3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102864733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).