5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one

C10H16ClN3O2 — CID 114676272

IUPAC5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-14(4-2)5-6-16-10-8(11)9(15)12-7-13-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyADYXDFUEIHDVMC-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.14
Rot. Bonds6

About 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one

5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114676272) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114676272
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-14(4-2)5-6-16-10-8(11)9(15)12-7-13-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyADYXDFUEIHDVMC-UHFFFAOYSA-N
XLogP1.14
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740468
4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241415
4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241419
5-chloro-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113616066
5-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113616107
4-[2-[di(propan-2-yl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 113616108
5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586296
5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586306
5-chloro-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586325
5-chloro-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586335
4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586353
5-chloro-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one (CID 114676272) is 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one is CCN(CC)CCOc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is ADYXDFUEIHDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-14(4-2)5-6-16-10-8(11)9(15)12-7-13-10/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one?
5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).