1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane

C14H23N3 — CID 135092676

IUPAC1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
SMILESCCc1cnc(C)nc1N1CCCC(C)CC1
InChIInChI=1S/C14H23N3/c1-4-13-10-15-12(3)16-14(13)17-8-5-6-11(2)7-9-17/h10-11H,4-9H2,1-3H3
InChIKeyKXJDCKOWGFBEHP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.97
Rot. Bonds2

About 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane

1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane (PubChem CID 135092676) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
PubChem CID135092676
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
SMILESCCc1cnc(C)nc1N1CCCC(C)CC1
InChIInChI=1S/C14H23N3/c1-4-13-10-15-12(3)16-14(13)17-8-5-6-11(2)7-9-17/h10-11H,4-9H2,1-3H3
InChIKeyKXJDCKOWGFBEHP-UHFFFAOYSA-N
XLogP2.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50972218
[2-methyl-4-(4-methylsulfanylazepan-1-yl)pyrimidin-5-yl]methanol
CID 114237753
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 56714796
N-[(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 114215762
5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
CID 50972909
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 72907206
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189
(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 56861214
3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 83889648
[(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70779426

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane?
The IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane (CID 135092676) is 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane.
What is the SMILES notation for 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane?
The canonical SMILES for 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane is CCc1cnc(C)nc1N1CCCC(C)CC1.
What is the InChIKey of 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane?
The InChIKey is KXJDCKOWGFBEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-13-10-15-12(3)16-14(13)17-8-5-6-11(2)7-9-17/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane?
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane has a molecular weight of 233.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane is sourced from PubChem (CID 135092676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).