3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol

C12H19N3O2 — CID 114215177

IUPAC3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol
SMILESOCCCN(c1ncncc1CO)C1CCC1
InChIInChI=1S/C12H19N3O2/c16-6-2-5-15(11-3-1-4-11)12-10(8-17)7-13-9-14-12/h7,9,11,16-17H,1-6,8H2
InChIKeyFTMAEKNDXRYOTG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds6

About 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol

3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 114215177) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID114215177
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol
SMILESOCCCN(c1ncncc1CO)C1CCC1
InChIInChI=1S/C12H19N3O2/c16-6-2-5-15(11-3-1-4-11)12-10(8-17)7-13-9-14-12/h7,9,11,16-17H,1-6,8H2
InChIKeyFTMAEKNDXRYOTG-UHFFFAOYSA-N
XLogP0.71
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
[4-[cyclobutyl(methyl)amino]pyrimidin-5-yl]methanol
CID 126974271
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine
CID 102871338
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859445
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
CID 66341181
5-amino-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxamide
CID 102859267
3-[cyclobutyl-[3-(hydroxymethyl)isoquinolin-1-yl]amino]propan-1-ol
CID 102869258
3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol
CID 114067557
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 107055806
3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859402
N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 102874836

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol (CID 114215177) is 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol is OCCCN(c1ncncc1CO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is FTMAEKNDXRYOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-6-2-5-15(11-3-1-4-11)12-10(8-17)7-13-9-14-12/h7,9,11,16-17H,1-6,8H2.
What are the key properties of 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol?
3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 114215177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).