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

C11H18ClN3O2 — CID 136971101

IUPAC4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCCC(C)N(CCOC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O2/c1-4-8(2)15(5-6-17-3)10-9(12)11(16)14-7-13-10/h7-8H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyJEMDYKXMGCWWTA-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.67
Rot. Bonds6

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

4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136971101) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one
PubChem CID136971101
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCCC(C)N(CCOC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O2/c1-4-8(2)15(5-6-17-3)10-9(12)11(16)14-7-13-10/h7-8H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyJEMDYKXMGCWWTA-UHFFFAOYSA-N
XLogP1.67
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.67
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
5-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113616107
5,6-Dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582991
5-chloro-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586335
5-chloro-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586380
5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676261
5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676272
5-chloro-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678163
5-chloro-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781031
5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
CID 136800370
4-[(3-amino-4-methoxybutyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136805763
5-chloro-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820292

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one (CID 136971101) is 4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one is CCC(C)N(CCOC)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is JEMDYKXMGCWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-4-8(2)15(5-6-17-3)10-9(12)11(16)14-7-13-10/h7-8H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of 4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one?
4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 259.74 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(2-methoxyethyl)amino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136971101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).