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

C11H17N3O2 — CID 102741496

IUPAC4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCCN(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(15)7-11(13-8)16-6-5-14(2)9-3-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyLYZZCGFCUNSLAO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds5

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

4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 102741496) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID102741496
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCCN(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(15)7-11(13-8)16-6-5-14(2)9-3-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyLYZZCGFCUNSLAO-UHFFFAOYSA-N
XLogP0.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241378
4-[2-(dimethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241381
4-[2-(dimethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241382
4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241384
2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391
2-cyclopropyl-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241413
4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241417
4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241418
4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241422

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one (CID 102741496) is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCCN(C)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LYZZCGFCUNSLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-12-10(15)7-11(13-8)16-6-5-14(2)9-3-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one?
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 102741496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).