N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine

C13H22ClN3 — CID 80663064

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)Cc1nc(C)cc(Cl)n1
InChIInChI=1S/C13H22ClN3/c1-5-10(3)8-17(6-2)9-13-15-11(4)7-12(14)16-13/h7,10H,5-6,8-9H2,1-4H3
InChIKeyZGJBFYTVYXVGCQ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.31
Rot. Bonds6

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine (PubChem CID 80663064) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine
PubChem CID80663064
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)Cc1nc(C)cc(Cl)n1
InChIInChI=1S/C13H22ClN3/c1-5-10(3)8-17(6-2)9-13-15-11(4)7-12(14)16-13/h7,10H,5-6,8-9H2,1-4H3
InChIKeyZGJBFYTVYXVGCQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine (CID 80663064) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine is CCC(C)CN(CC)Cc1nc(C)cc(Cl)n1.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine?
The InChIKey is ZGJBFYTVYXVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-5-10(3)8-17(6-2)9-13-15-11(4)7-12(14)16-13/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 80663064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).