2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 137248554

IUPAC2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(COC)nc(N)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6(2)4-7-8(5-15-3)12-10(11)13-9(7)14/h1,4-5H2,2-3H3,(H3,11,12,13,14)
InChIKeySEUSHHADTRFQCF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.62
Rot. Bonds4

About 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one

2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one (PubChem CID 137248554) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
PubChem CID137248554
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(COC)nc(N)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6(2)4-7-8(5-15-3)12-10(11)13-9(7)14/h1,4-5H2,2-3H3,(H3,11,12,13,14)
InChIKeySEUSHHADTRFQCF-UHFFFAOYSA-N
XLogP0.62
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135431182
2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one
CID 136955171
2,4-diamino-5-(3-methylbut-2-enyl)-1H-pyrimidin-6-one
CID 135420445
2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 155776253
2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid
CID 136921389
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135473139
5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one
CID 869185
2,5-diamino-4-methoxy-1H-pyrimidin-6-one
CID 118167344
2-amino-4-benzyl-5-(2-hydroxypropyl)-1H-pyrimidin-6-one
CID 135459458
2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one
CID 170867331
2-amino-5-(2-bromoethyl)-4-methyl-1H-pyrimidin-6-one
CID 135442066
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxyacetamide
CID 66758413

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one (CID 137248554) is 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one is C=C(C)Cc1c(COC)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
The InChIKey is SEUSHHADTRFQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)4-7-8(5-15-3)12-10(11)13-9(7)14/h1,4-5H2,2-3H3,(H3,11,12,13,14).
What are the key properties of 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one?
2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methoxymethyl)-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137248554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).