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

C7H11N3O2 — CID 135581591

IUPAC2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(N)[nH]c(=O)c1C
InChIInChI=1S/C7H11N3O2/c1-4-5(3-12-2)9-7(8)10-6(4)11/h3H2,1-2H3,(H3,8,9,10,11)
InChIKeyBZXNIJWQTYBJGO-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.19
Rot. Bonds2

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

2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 135581591) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID135581591
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(N)[nH]c(=O)c1C
InChIInChI=1S/C7H11N3O2/c1-4-5(3-12-2)9-7(8)10-6(4)11/h3H2,1-2H3,(H3,8,9,10,11)
InChIKeyBZXNIJWQTYBJGO-UHFFFAOYSA-N
XLogP-0.19
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one (CID 135581591) is 2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one is COCc1nc(N)[nH]c(=O)c1C.
What is the InChIKey of 2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is BZXNIJWQTYBJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-5(3-12-2)9-7(8)10-6(4)11/h3H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one?
2-amino-4-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.19, 2 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135581591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).