4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 102741498

IUPAC4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCN(C)C2CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-14(8-3-4-8)5-6-17-11-9(16-2)10(15)12-7-13-11/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVITLTPMIAJLIGX-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.25
Rot. Bonds6

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

4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 102741498) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID102741498
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCN(C)C2CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-14(8-3-4-8)5-6-17-11-9(16-2)10(15)12-7-13-11/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVITLTPMIAJLIGX-UHFFFAOYSA-N
XLogP0.25
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740468
5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740474
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 102740477
5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741495
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
4-ethoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240575
5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
CID 103240686
4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103240772
5-methoxy-4-propoxy-1H-pyrimidin-6-one
CID 103240822
4-butoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240832
4-butan-2-yloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240856
4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241380

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one (CID 102741498) is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one is COc1c(OCCN(C)C2CC2)nc[nH]c1=O.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is VITLTPMIAJLIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14(8-3-4-8)5-6-17-11-9(16-2)10(15)12-7-13-11/h7-8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102741498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).