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

C14H22N4O — CID 102875552

IUPAC3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESNc1cc(N(CCCO)C2CCC2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c15-12-9-13(17-14(16-12)10-5-6-10)18(7-2-8-19)11-3-1-4-11/h9-11,19H,1-8H2,(H2,15,16,17)
InChIKeyGMCXJZMZHFONCK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.68
Rot. Bonds6

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

3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol (PubChem CID 102875552) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
PubChem CID102875552
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESNc1cc(N(CCCO)C2CCC2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c15-12-9-13(17-14(16-12)10-5-6-10)18(7-2-8-19)11-3-1-4-11/h9-11,19H,1-8H2,(H2,15,16,17)
InChIKeyGMCXJZMZHFONCK-UHFFFAOYSA-N
XLogP1.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 102875838
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80964712
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875611
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 102718042
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80811563
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80961504
2-[(6-amino-2-propylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80955025

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol (CID 102875552) is 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol is Nc1cc(N(CCCO)C2CCC2)nc(C2CC2)n1.
What is the InChIKey of 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The InChIKey is GMCXJZMZHFONCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-12-9-13(17-14(16-12)10-5-6-10)18(7-2-8-19)11-3-1-4-11/h9-11,19H,1-8H2,(H2,15,16,17).
What are the key properties of 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102875552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).