5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one

C8H11N3O2 — CID 103240767

IUPAC5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CC2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c9-6-7(12)10-4-11-8(6)13-3-5-1-2-5/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyBHDKZFOCPMXFRW-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.14
Rot. Bonds3

About 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one

5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one (PubChem CID 103240767) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
PubChem CID103240767
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CC2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c9-6-7(12)10-4-11-8(6)13-3-5-1-2-5/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyBHDKZFOCPMXFRW-UHFFFAOYSA-N
XLogP0.14
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241910
5-amino-4-(2-methylprop-1-enoxy)-1H-pyrimidin-6-one
CID 167252825
5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430
5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240448
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580
5-amino-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240605
5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240661
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one (CID 103240767) is 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one is Nc1c(OCC2CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is BHDKZFOCPMXFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-6-7(12)10-4-11-8(6)13-3-5-1-2-5/h4-5H,1-3,9H2,(H,10,11,12).
What are the key properties of 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one?
5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).