4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one

C10H15N3O2 — CID 136973988

IUPAC4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6(7-3-4-7)13-9-8(15-2)10(14)12-5-11-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyPKMLMGYULUWSLR-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.99
Rot. Bonds4

About 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one

4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136973988) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136973988
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6(7-3-4-7)13-9-8(15-2)10(14)12-5-11-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyPKMLMGYULUWSLR-UHFFFAOYSA-N
XLogP0.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977342
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136949437
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 136974783
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136972381
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974927
5-methoxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136817732
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136977320
4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974912
4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136979130

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136973988) is 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(C)C2CC2)nc[nH]c1=O.
What is the InChIKey of 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is PKMLMGYULUWSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(7-3-4-7)13-9-8(15-2)10(14)12-5-11-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136973988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).