3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol

C12H21N5O — CID 102875573

IUPAC3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
SMILESCNc1cc(N(CCCO)C2CCC2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-14-10-8-11(16-12(13)15-10)17(6-3-7-18)9-4-2-5-9/h8-9,18H,2-7H2,1H3,(H3,13,14,15,16)
InChIKeyJZGJPQOQYIJNEY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.84
Rot. Bonds6

About 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol

3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol (PubChem CID 102875573) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
PubChem CID102875573
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
SMILESCNc1cc(N(CCCO)C2CCC2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-14-10-8-11(16-12(13)15-10)17(6-3-7-18)9-4-2-5-9/h8-9,18H,2-7H2,1H3,(H3,13,14,15,16)
InChIKeyJZGJPQOQYIJNEY-UHFFFAOYSA-N
XLogP0.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875611
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604
3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875789
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol
CID 102875795
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80761777
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875552

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol (CID 102875573) is 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol is CNc1cc(N(CCCO)C2CCC2)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol?
The InChIKey is JZGJPQOQYIJNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-14-10-8-11(16-12(13)15-10)17(6-3-7-18)9-4-2-5-9/h8-9,18H,2-7H2,1H3,(H3,13,14,15,16).
What are the key properties of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol?
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102875573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).