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

C8H11N3O2 — CID 63553920

IUPAC2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESNC(c1nc(O)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C8H11N3O2/c9-7(4-1-2-4)8-10-5(12)3-6(13)11-8/h3-4,7H,1-2,9H2,(H2,10,11,12,13)
InChIKeyHIXNMKQSFQLFEF-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.11
Rot. Bonds2

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

2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63553920) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63553920
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESNC(c1nc(O)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C8H11N3O2/c9-7(4-1-2-4)8-10-5(12)3-6(13)11-8/h3-4,7H,1-2,9H2,(H2,10,11,12,13)
InChIKeyHIXNMKQSFQLFEF-UHFFFAOYSA-N
XLogP-0.11
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.11
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]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 63553920) is 2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is NC(c1nc(O)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is HIXNMKQSFQLFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-7(4-1-2-4)8-10-5(12)3-6(13)11-8/h3-4,7H,1-2,9H2,(H2,10,11,12,13).
What are the key properties of 2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63553920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).