3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol

C11H20N4O — CID 106149831

IUPAC3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1nccc(NCC(C)(C)CCO)n1
InChIInChI=1S/C11H20N4O/c1-11(2,5-7-16)8-14-9-4-6-13-10(12-3)15-9/h4,6,16H,5,7-8H2,1-3H3,(H2,12,13,14,15)
InChIKeyZPDWKFZEUIMEEX-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.34
Rot. Bonds6

About 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol

3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 106149831) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID106149831
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1nccc(NCC(C)(C)CCO)n1
InChIInChI=1S/C11H20N4O/c1-11(2,5-7-16)8-14-9-4-6-13-10(12-3)15-9/h4,6,16H,5,7-8H2,1-3H3,(H2,12,13,14,15)
InChIKeyZPDWKFZEUIMEEX-UHFFFAOYSA-N
XLogP1.34
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785044
methyl 4-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrimidine-2-carboxylate
CID 114149569
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523201
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
3-methyl-2-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80847955
3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787004
4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
CID 103896007
[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856693
4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149830
4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 106140773
4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol
CID 103705336

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 106149831) is 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol is CNc1nccc(NCC(C)(C)CCO)n1.
What is the InChIKey of 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is ZPDWKFZEUIMEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,5-7-16)8-14-9-4-6-13-10(12-3)15-9/h4,6,16H,5,7-8H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 106149831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).