4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O2 — CID 136852221

IUPAC4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C11H17N3O2/c1-3-11(4-5-11)6-12-9-8(16-2)10(15)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyWHNOKIMAJSHWOC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.38
Rot. Bonds5

About 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136852221) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136852221
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C11H17N3O2/c1-3-11(4-5-11)6-12-9-8(16-2)10(15)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyWHNOKIMAJSHWOC-UHFFFAOYSA-N
XLogP1.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723599
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756212
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136762583
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136852221) is 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is CCC1(CNc2nc[nH]c(=O)c2OC)CC1.
What is the InChIKey of 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WHNOKIMAJSHWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-11(4-5-11)6-12-9-8(16-2)10(15)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136852221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).