3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol

C13H24N4O — CID 80848028

IUPAC3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1ncnc(NC(CO)C(C)C)c1C(C)C
InChIInChI=1S/C13H24N4O/c1-8(2)10(6-18)17-13-11(9(3)4)12(14-5)15-7-16-13/h7-10,18H,6H2,1-5H3,(H2,14,15,16,17)
InChIKeyJQSRVIRRNVDYEY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.07
Rot. Bonds6

About 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol

3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol (PubChem CID 80848028) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol
PubChem CID80848028
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1ncnc(NC(CO)C(C)C)c1C(C)C
InChIInChI=1S/C13H24N4O/c1-8(2)10(6-18)17-13-11(9(3)4)12(14-5)15-7-16-13/h7-10,18H,6H2,1-5H3,(H2,14,15,16,17)
InChIKeyJQSRVIRRNVDYEY-UHFFFAOYSA-N
XLogP2.07
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

(2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923492
3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol
CID 107855651
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161
(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80847962
4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813471
N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 80800935
2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 114074838
6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146884
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
2,2-difluoro-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 114154604
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol (CID 80848028) is 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol is CNc1ncnc(NC(CO)C(C)C)c1C(C)C.
What is the InChIKey of 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is JQSRVIRRNVDYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)10(6-18)17-13-11(9(3)4)12(14-5)15-7-16-13/h7-10,18H,6H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol?
3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 80848028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).