3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol

C11H18N4O — CID 102875612

IUPAC3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESNc1nccc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C11H18N4O/c12-11-13-6-5-10(14-11)15(7-2-8-16)9-3-1-4-9/h5-6,9,16H,1-4,7-8H2,(H2,12,13,14)
InChIKeyOSPHYHUZSONQGP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.80
Rot. Bonds5

About 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol

3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol (PubChem CID 102875612) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
PubChem CID102875612
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESNc1nccc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C11H18N4O/c12-11-13-6-5-10(14-11)15(7-2-8-16)9-3-1-4-9/h5-6,9,16H,1-4,7-8H2,(H2,12,13,14)
InChIKeyOSPHYHUZSONQGP-UHFFFAOYSA-N
XLogP0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
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
2-[cyclobutyl(3-hydroxypropyl)amino]pyrimidine-4-carbothioamide
CID 107548195
3-[cyclobutyl-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864161
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
CID 102846714
3-[cyclobutyl(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]propan-1-ol
CID 102868709
3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875552
2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
CID 102875467
6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
CID 102863594

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol (CID 102875612) is 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol is Nc1nccc(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The InChIKey is OSPHYHUZSONQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-11-13-6-5-10(14-11)15(7-2-8-16)9-3-1-4-9/h5-6,9,16H,1-4,7-8H2,(H2,12,13,14).
What are the key properties of 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102875612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).