5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one

C10H17N3O2 — CID 116782622

IUPAC5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-10(2,15-3)9-12-6-7(5-11)8(14)13-9/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyUXWUDLXTTZVVHO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.50
Rot. Bonds4

About 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one

5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (PubChem CID 116782622) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
PubChem CID116782622
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-10(2,15-3)9-12-6-7(5-11)8(14)13-9/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyUXWUDLXTTZVVHO-UHFFFAOYSA-N
XLogP0.50
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206324
5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963868
2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 114206362
5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136983389
2-(2-methoxybutan-2-yl)-1H-pyrimidine-6-thione
CID 106476455
2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963738
2-(2-ethoxybutan-2-yl)-1H-imidazole-5-carbaldehyde
CID 116782032
2-(2-methoxybutan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136963754
5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 136964065
5-bromo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202712
5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 82502898
2-(2-ethoxybutan-2-yl)-1H-imidazole-5-carboxylic acid
CID 116777777

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (CID 116782622) is 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is CCC(C)(OC)c1ncc(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is UXWUDLXTTZVVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-10(2,15-3)9-12-6-7(5-11)8(14)13-9/h6H,4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116782622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).