5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one

C10H17N3O2 — CID 116734533

IUPAC5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-3-4-8(15-2)9-12-6-7(5-11)10(14)13-9/h6,8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyMENRGRGDORQHRS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.72
Rot. Bonds5

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

5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one (PubChem CID 116734533) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one
PubChem CID116734533
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-3-4-8(15-2)9-12-6-7(5-11)10(14)13-9/h6,8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyMENRGRGDORQHRS-UHFFFAOYSA-N
XLogP0.72
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 82503148
5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947
5-(aminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 104189964
5-(aminomethyl)-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 104189970
5-(aminomethyl)-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 104189973
5-(aminomethyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 104189995
5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996
5-(aminomethyl)-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 104189998
5-(aminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104190010
5-(aminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104253722
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 113385101

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one (CID 116734533) is 5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one is CCCC(OC)c1ncc(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The InChIKey is MENRGRGDORQHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-8(15-2)9-12-6-7(5-11)10(14)13-9/h6,8H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116734533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).