5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one

C12H20ClN3O2 — CID 136971115

IUPAC5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)N(CCOC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C12H20ClN3O2/c1-4-9(5-2)16(6-7-18-3)11-10(13)12(17)15-8-14-11/h8-9H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyNDVMUEDWZISFLI-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.06
Rot. Bonds7

About 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one

5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136971115) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136971115
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)N(CCOC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C12H20ClN3O2/c1-4-9(5-2)16(6-7-18-3)11-10(13)12(17)15-8-14-11/h8-9H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyNDVMUEDWZISFLI-UHFFFAOYSA-N
XLogP2.06
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-hydroxyethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 136979824
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 136973019
4-[2-bromoethyl(pentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136972026
6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine
CID 63728997
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
4-[2-aminoethyl(ethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008333
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62702545
5-chloro-4-(2-methoxyethylsulfanyl)-1H-pyrimidin-6-one
CID 114791087
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
5-chloro-4-[cyclopropyl(propyl)amino]-1H-pyrimidin-6-one
CID 136970750

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one (CID 136971115) is 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one is CCC(CC)N(CCOC)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is NDVMUEDWZISFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-4-9(5-2)16(6-7-18-3)11-10(13)12(17)15-8-14-11/h8-9H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 273.76 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).