5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one

C9H13N3O2 — CID 136975381

IUPAC5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CC2C)nc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-5-3-6(5)12-8-7(14-2)9(13)11-4-10-8/h4-6H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyPURZVDVDKCKFLA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.60
Rot. Bonds3

About 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136975381) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one
PubChem CID136975381
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CC2C)nc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-5-3-6(5)12-8-7(14-2)9(13)11-4-10-8/h4-6H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyPURZVDVDKCKFLA-UHFFFAOYSA-N
XLogP0.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736698
5-methoxy-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786692
5-methoxy-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976591
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
2-(cyclopropylamino)-5-methoxy-1H-pyrimidin-6-one
CID 133663622
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696635
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762574

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one (CID 136975381) is 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one is COc1c(NC2CC2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is PURZVDVDKCKFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-3-6(5)12-8-7(14-2)9(13)11-4-10-8/h4-6H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).