2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol

C13H24N4O — CID 80967917

IUPAC2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCNc1cc(NC(C)(C)CO)nc(C(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-12(2,3)11-15-9(14-6)7-10(16-11)17-13(4,5)8-18/h7,18H,8H2,1-6H3,(H2,14,15,16,17)
InChIKeyBBSLTAPAIIDHED-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds4

About 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol

2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 80967917) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
PubChem CID80967917
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCNc1cc(NC(C)(C)CO)nc(C(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-12(2,3)11-15-9(14-6)7-10(16-11)17-13(4,5)8-18/h7,18H,8H2,1-6H3,(H2,14,15,16,17)
InChIKeyBBSLTAPAIIDHED-UHFFFAOYSA-N
XLogP2.00
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-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

Related Compounds

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80778887
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358242
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
CID 83024839
[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80957612
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-3-ethylpentan-2-ol
CID 106288889
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363
2-tert-butyl-4-N-(3,3-dimethylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 104830549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol (CID 80967917) is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol is CNc1cc(NC(C)(C)CO)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is BBSLTAPAIIDHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-12(2,3)11-15-9(14-6)7-10(16-11)17-13(4,5)8-18/h7,18H,8H2,1-6H3,(H2,14,15,16,17).
What are the key properties of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80967917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).