2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol

C9H16N4O — CID 80780227

IUPAC2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1cc(NC(C)CO)nc(C)n1
InChIInChI=1S/C9H16N4O/c1-6(5-14)11-9-4-8(10-3)12-7(2)13-9/h4,6,14H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyHJAJBPDJYVGDIV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.62
Rot. Bonds4

About 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol

2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80780227) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID80780227
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1cc(NC(C)CO)nc(C)n1
InChIInChI=1S/C9H16N4O/c1-6(5-14)11-9-4-8(10-3)12-7(2)13-9/h4,6,14H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyHJAJBPDJYVGDIV-UHFFFAOYSA-N
XLogP0.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 82949807
3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80851001
3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 83180615
3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
CID 83180465
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
CID 90302031
2-[(1,5-dimethylpyrazol-3-yl)amino]propan-1-ol
CID 130502735
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528
3-[2-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80890129
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 80780227) is 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is CNc1cc(NC(C)CO)nc(C)n1.
What is the InChIKey of 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is HJAJBPDJYVGDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(5-14)11-9-4-8(10-3)12-7(2)13-9/h4,6,14H,5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80780227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).