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

C8H13N3O2 — CID 135977872

IUPAC2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOCCc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5-6(3-4-13-2)7(12)11-8(9)10-5/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyKGHIDMFJEQPDPA-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.15
Rot. Bonds3

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

2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135977872) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135977872
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOCCc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5-6(3-4-13-2)7(12)11-8(9)10-5/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyKGHIDMFJEQPDPA-UHFFFAOYSA-N
XLogP-0.15
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135977872) is 2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one is COCCc1c(C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KGHIDMFJEQPDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-6(3-4-13-2)7(12)11-8(9)10-5/h3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135977872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).