2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C10H15N3O2 — CID 63553735

IUPAC2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(N)C2CC2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-2-6-9(14)12-8(13-10(6)15)7(11)5-3-4-5/h5,7H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyGWUOMJFSPPPKQC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.45
Rot. Bonds3

About 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63553735) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63553735
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(N)C2CC2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-2-6-9(14)12-8(13-10(6)15)7(11)5-3-4-5/h5,7H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyGWUOMJFSPPPKQC-UHFFFAOYSA-N
XLogP0.45
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63553735) is 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(C(N)C2CC2)[nH]c1=O.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GWUOMJFSPPPKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-6-9(14)12-8(13-10(6)15)7(11)5-3-4-5/h5,7H,2-4,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63553735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).