1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane

C15H24ClN3 — CID 80977670

IUPAC1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCCCCC1C
InChIInChI=1S/C15H24ClN3/c1-10(2)14-17-13(16)12(4)15(18-14)19-9-7-5-6-8-11(19)3/h10-11H,5-9H2,1-4H3
InChIKeyIPMNAXGJTKFXFR-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.33
Rot. Bonds2

About 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane

1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane (PubChem CID 80977670) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane
PubChem CID80977670
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCCCCC1C
InChIInChI=1S/C15H24ClN3/c1-10(2)14-17-13(16)12(4)15(18-14)19-9-7-5-6-8-11(19)3/h10-11H,5-9H2,1-4H3
InChIKeyIPMNAXGJTKFXFR-UHFFFAOYSA-N
XLogP4.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
CID 80970489
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 80970597
4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
CID 80971294
4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
CID 114594505
4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970665
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856688
[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640785
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80985618
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine
CID 80951632
4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine
CID 80978002

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane?
The IUPAC name of 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane (CID 80977670) is 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane.
What is the SMILES notation for 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane?
The canonical SMILES for 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane is Cc1c(Cl)nc(C(C)C)nc1N1CCCCCC1C.
What is the InChIKey of 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane?
The InChIKey is IPMNAXGJTKFXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-10(2)14-17-13(16)12(4)15(18-14)19-9-7-5-6-8-11(19)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane?
1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane has a molecular weight of 281.83 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane is sourced from PubChem (CID 80977670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).