6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine

C14H24ClN3 — CID 80971108

IUPAC6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCC(C)C(C)Nc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C14H24ClN3/c1-7-9(4)11(6)16-14-10(5)12(15)17-13(18-14)8(2)3/h8-9,11H,7H2,1-6H3,(H,16,17,18)
InChIKeyXBIKXVJHCSGLCA-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.41
Rot. Bonds5

About 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80971108) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80971108
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCC(C)C(C)Nc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C14H24ClN3/c1-7-9(4)11(6)16-14-10(5)12(15)17-13(18-14)8(2)3/h8-9,11H,7H2,1-6H3,(H,16,17,18)
InChIKeyXBIKXVJHCSGLCA-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 80978575
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 80969834
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
6-chloro-2-ethyl-N-(3-ethylpentan-2-yl)-5-methylpyrimidin-4-amine
CID 80971853
3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979435
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
6-chloro-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80979023

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80971108) is 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine is CCC(C)C(C)Nc1nc(C(C)C)nc(Cl)c1C.
What is the InChIKey of 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XBIKXVJHCSGLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-7-9(4)11(6)16-14-10(5)12(15)17-13(18-14)8(2)3/h8-9,11H,7H2,1-6H3,(H,16,17,18).
What are the key properties of 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 269.82 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80971108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).