2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol

C9H15N3O — CID 114552994

IUPAC2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol
SMILESCCC(CN)C(O)c1ncccn1
InChIInChI=1S/C9H15N3O/c1-2-7(6-10)8(13)9-11-4-3-5-12-9/h3-5,7-8,13H,2,6,10H2,1H3
InChIKeyFATGZESNVSLXCK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.49
Rot. Bonds4

About 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol

2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol (PubChem CID 114552994) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol
PubChem CID114552994
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol
SMILESCCC(CN)C(O)c1ncccn1
InChIInChI=1S/C9H15N3O/c1-2-7(6-10)8(13)9-11-4-3-5-12-9/h3-5,7-8,13H,2,6,10H2,1H3
InChIKeyFATGZESNVSLXCK-UHFFFAOYSA-N
XLogP0.49
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130900174
2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130985791
2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol
CID 165446658
2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
CID 65188015
(2-ethyl-1-pyrimidin-2-ylbutyl)hydrazine
CID 105203534
2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
CID 65188119
3-pyrimidin-2-ylpentan-2-ol
CID 63201326
1-pyrimidin-2-ylbutan-1-ol
CID 60798581
3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol
CID 114552977
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
2-[(1S)-1-bromopropyl]pyrimidine
CID 124635355

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol (CID 114552994) is 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol is CCC(CN)C(O)c1ncccn1.
What is the InChIKey of 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol?
The InChIKey is FATGZESNVSLXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-7(6-10)8(13)9-11-4-3-5-12-9/h3-5,7-8,13H,2,6,10H2,1H3.
What are the key properties of 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol?
2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol is sourced from PubChem (CID 114552994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).