3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine

C12H20ClN3O — CID 80752686

IUPAC3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1nc(OC)ncc1Cl
InChIInChI=1S/C12H20ClN3O/c1-5-6-14-9(3)8(2)11-10(13)7-15-12(16-11)17-4/h7-9,14H,5-6H2,1-4H3
InChIKeyYWNUFFCMLKAUAY-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.63
Rot. Bonds6

About 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine

3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine (PubChem CID 80752686) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine
PubChem CID80752686
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1nc(OC)ncc1Cl
InChIInChI=1S/C12H20ClN3O/c1-5-6-14-9(3)8(2)11-10(13)7-15-12(16-11)17-4/h7-9,14H,5-6H2,1-4H3
InChIKeyYWNUFFCMLKAUAY-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylpentan-2-amine
CID 80751917
2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate
CID 166585585
3-(3-methylpyrazin-2-yl)-N-propylbutan-2-amine
CID 83064469
1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine
CID 80752472
2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938019
5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
CID 107816615
3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine
CID 63206017
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol
CID 115733636
3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine
CID 63873435
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine
CID 80751988
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
CID 80752006

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine (CID 80752686) is 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine is CCCNC(C)C(C)c1nc(OC)ncc1Cl.
What is the InChIKey of 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine?
The InChIKey is YWNUFFCMLKAUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-5-6-14-9(3)8(2)11-10(13)7-15-12(16-11)17-4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine?
3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 80752686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).